chembl-mcp-server
Server Details
Link compounds to protein targets, rank bioactivity, and look up drug mechanisms and indications.
- Status
- Healthy
- Last Tested
- Transport
- Streamable HTTP
- URL
- Repository
- cyanheads/chembl-mcp-server
- GitHub Stars
- 1
- Server Listing
- @cyanheads/chembl-mcp-server
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Tool Definition Quality
Average 4.7/5 across 7 of 7 tools scored.
Each tool has a clearly distinct role: molecule/target search, bioactivity retrieval, assay provenance, drug info, and SQL queries over spilled data. Even the two dataframe tools are distinct (describe vs query), and get_bioactivities vs dataframe_query are separated by API retrieval vs staged analysis.
All tools follow the chembl_<verb>_<noun> pattern with descriptive verbs like search, get, query, and describe. No mixed naming conventions or vague verbs.
Seven tools is well-scoped for a chemistry bioactivity server. Each tool covers a necessary function—search, retrieval, provenance, drug info, and data analysis—without redundancy or bloat.
The tool surface covers the full workflow: searching for molecules and targets, getting bioactivities, assessing assay quality, retrieving drug pharmacology, and handling large result sets via SQL. There are no obvious dead ends or missing critical operations.
Available Tools
7 toolschembl_dataframe_describechembl-dataframe-describeARead-onlyIdempotentInspect
List the tables and columns staged on a canvas by chembl_get_bioactivities — inspect before calling chembl_dataframe_query to write correct SQL. Returns each table with its row count, kind (table | view), and column names + types. Requires CANVAS_PROVIDER_TYPE=duckdb.
| Name | Required | Description | Default |
|---|---|---|---|
| canvas_id | Yes | Canvas ID returned by chembl_get_bioactivities (spilled: true). |
Output Schema
| Name | Required | Description |
|---|---|---|
| tables | Yes | Tables and views staged on the canvas. |
Tool Definition Quality
Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?
Annotations already indicate read-only and idempotent behavior. The description adds valuable context beyond annotations: it specifies the return format (row count, kind, column names + types) and the prerequisite requirement of CANVAS_PROVIDER_TYPE=duckdb. These details are not present in the annotations.
Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.
Is the description appropriately sized, front-loaded, and free of redundancy?
The description is exactly two sentences, front-loaded with the primary action. It provides its purpose, usage, return details, and a prerequisite without any redundant or filler content. Every sentence earns its place.
Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.
Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?
For a tool with one parameter, an output schema, and clear annotations, the description covers purpose, usage context, prerequisites, and return structure. It is complete enough for an agent to select and invoke correctly without further questions.
Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.
Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?
The input schema already provides a description for the sole parameter canvas_id ('Canvas ID returned by chembl_get_bioactivities (spilled: true)'), so schema coverage is 100%. The tool description doesn't add additional parameter semantics beyond what the schema already states, so the baseline score of 3 is appropriate.
Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.
Does the description clearly state what the tool does and how it differs from similar tools?
The description uses 'List' as a specific verb and clearly identifies the resource as 'tables and columns staged on a canvas by chembl_get_bioactivities'. It distinguishes itself from sibling tools by explicitly referencing chembl_dataframe_query, which is the likely alternative for querying.
Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.
Does the description explain when to use this tool, when not to, or what alternatives exist?
The description explicitly instructs to 'inspect before calling chembl_dataframe_query to write correct SQL', providing a clear workflow and naming the alternative tool. This gives concrete guidance on when to use this tool versus the sibling query tool.
Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.
chembl_dataframe_querychembl-dataframe-queryARead-onlyIdempotentInspect
Run a read-only SQL SELECT over the bioactivity rows chembl_get_bioactivities spilled to a canvas — rank, group, dedupe, and aggregate across the FULL set, not the inline preview. Reference each staged table by the name chembl_get_bioactivities returned — bioactivities for its potency_ranked view, bioactivities_null_potency for null_potency; discover the staged tables and their columns with chembl_dataframe_describe. Compute honest aggregates here (e.g. SELECT molecule_chembl_id, MEDIAN(pchembl_value) AS med FROM bioactivities WHERE standard_type = 'IC50' GROUP BY 1 ORDER BY 2 DESC). Two independent bounds apply, each reported on its own field: truncated is true when the SQL result exceeded the canvas row cap, and rendered_rows says how many of the returned rows the markdown table holds once its character budget is reached (below row_count on a wide or long result). Page past either bound with SQL LIMIT/OFFSET — append e.g. LIMIT 500 OFFSET 500 and re-call; offsets reach rows beyond the canvas row cap. Requires CANVAS_PROVIDER_TYPE=duckdb.
| Name | Required | Description | Default |
|---|---|---|---|
| sql | Yes | A read-only SELECT against the staged tables. Reference tables by the names chembl_get_bioactivities returned. | |
| canvas_id | Yes | Canvas ID returned by chembl_get_bioactivities (spilled: true). |
Output Schema
| Name | Required | Description |
|---|---|---|
| rows | Yes | Result rows (capped at the canvas row limit). Each row is a column→value map. |
| row_count | Yes | Number of rows materialized in this response. |
| truncated | Yes | True when the SQL result exceeded the canvas row cap and was truncated — the engine bounding the result set itself, not the rendering. Independent of rendered_rows; page past it with LIMIT/OFFSET. |
| rendered_rows | Yes | How many of those rows the markdown table in content[] holds. Below row_count when the rendered table reached its character budget — a rendering bound, INDEPENDENT of truncated: a response can be truncated:false and still render fewer rows than row_count. Re-run the same SQL with LIMIT/OFFSET to read the rows past it. |
Tool Definition Quality
Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?
Beyond the readOnlyHint and idempotentHint annotations, the description explains the truncated and rendered_rows fields, the canvas row cap and character budget behaviors, and the CANVAS_PROVIDER_TYPE=duckdb prerequisite. This significantly enriches the agent's understanding of runtime constraints and paging.
Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.
Is the description appropriately sized, front-loaded, and free of redundancy?
The description is dense but efficiently structured: it leads with the core action, then explains table references, provides an aggregate example, details bound fields with paging instructions, and closes with a prerequisite. Every sentence contributes essential operational knowledge.
Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.
Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?
Given the tool's complexity (SQL execution, paging, two independent limits, provider requirement), the description covers all key aspects. Output schema exists, so return fields need not be exhaustively enumerated, but the description already covers truncated/rendered_rows semantics.
Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.
Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?
Schema coverage is 100% with clear descriptions for both sql and canvas_id. The description adds value by showing example SQL, explaining how to reference staged tables, and clarifying that canvas_id comes specifically from a spilled result. This goes slightly beyond the schema baseline.
Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.
Does the description clearly state what the tool does and how it differs from similar tools?
The description clearly states the tool runs a read-only SQL SELECT over bioactivity rows spilled to a canvas by chembl_get_bioactivities. It specifies the action (rank, group, dedupe, aggregate), the resource (bioactivity rows), and distinguishes from the inline preview and sibling tools like chembl_dataframe_describe.
Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.
Does the description explain when to use this tool, when not to, or what alternatives exist?
The description explicitly positions this tool for full-set analysis beyond inline previews, advises using chembl_dataframe_describe for schema discovery, and provides concrete paging guidance with LIMIT/OFFSET. It also includes an example query showing when to use it for honest aggregates.
Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.
chembl_get_assaychembl-get-assayARead-onlyIdempotentInspect
Assay provenance behind a bioactivity row: description, type (binding / functional / ADMET / toxicity), the target it measures, organism, and ChEMBL's 1–9 confidence score (9 = direct assay on the protein target, lower = homologous or indirect). Supply assay_chembl_id from a chembl_get_bioactivities row. Call this to judge whether two measurements are comparable before ranking them together.
| Name | Required | Description | Default |
|---|---|---|---|
| assay_chembl_id | Yes | ChEMBL assay ID from a bioactivity row's assay_chembl_id, e.g. "CHEMBL674637". |
Output Schema
| Name | Required | Description |
|---|---|---|
| organism | Yes | Assay organism. Null when unspecified. |
| assay_type | Yes | Assay type code: B=binding, F=functional, A=ADMET, T=toxicity, P=physicochemical, U=unclassified. Null when absent. |
| description | Yes | Assay description text. Null when absent. |
| assay_chembl_id | Yes | The ChEMBL assay ID queried. |
| confidence_score | Yes | ChEMBL confidence score, 1–9 (9 = direct single-protein assay; lower = homologous/indirect). Null when unscored. |
| target_chembl_id | Yes | ChEMBL target ID the assay measures — chain to chembl_search_targets/chembl_get_bioactivities. Null when unassigned. |
| assay_type_description | Yes | Human-readable assay type, e.g. "Binding". Null when absent. |
| confidence_description | Yes | Human-readable confidence description, e.g. "Direct single protein target assigned". Null when absent. |
Tool Definition Quality
Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?
Annotations already declare readOnlyHint, openWorldHint, and idempotentHint, so the description does not need to repeat those. It adds valuable context about the confidence score meaning ('9 = direct assay on the protein target, lower = homologous or indirect') and describes the provenance nature, going beyond the annotations. No contradiction.
Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.
Is the description appropriately sized, front-loaded, and free of redundancy?
The description is two sentences: the first defines the tool's output, the second gives usage context and an example data flow. It is front-loaded with the core purpose and contains no filler or redundant info.
Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.
Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?
The description covers what the tool returns, where the input comes from, and the decision context (comparability assessment). With an output schema present and annotations covering safety traits, this is fully complete for an agent to select and invoke the tool correctly.
Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.
Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?
The schema already covers the single parameter with a description and example ('CHEMBL674637'), so schema coverage is 100%. The description reinforces the source of the ID (from chembl_get_bioactivities) but does not add new parameter semantics, justifying the baseline 3.
Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.
Does the description clearly state what the tool does and how it differs from similar tools?
The description clearly states the tool's function: 'Assay provenance behind a bioactivity row' and details the specific data returned (description, type, target, organism, confidence score). This is a specific verb+resource combination that distinguishes it from sibling tools like chembl_get_bioactivities or chembl_search_targets.
Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.
Does the description explain when to use this tool, when not to, or what alternatives exist?
It provides explicit usage guidance: 'Supply assay_chembl_id from a chembl_get_bioactivities row' and 'Call this to judge whether two measurements are comparable'. This tells the agent exactly when and how to use the tool, with implied alternative context (using bioactivities first).
Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.
chembl_get_bioactivitieschembl-get-bioactivitiesARead-onlyIdempotentInspect
The flagship compound↔target bioactivity bridge: measurements for a molecule (target deconvolution / selectivity), a target (lead finding), or both together (how potently one compound hits one target). Supply at least one of molecule_chembl_id (from chembl_search_molecules) or target_chembl_id (from chembl_search_targets) — supplying both narrows to that compound–target pair, supplying neither is an error. Filter by standard_type (IC50/Ki/EC50/…), minimum potency pchembl_value_min, assay_type, and organism. Not every measurement has a derivable pchembl_value, so potency_view picks which side of that split you get: the default "potency_ranked" returns the measurements that have one, most potent first (ChEMBL sorts the rest first otherwise, which is why they are not merged), and "null_potency" returns exactly the measurements that have none. totalCount is the honest full match count across both views either way. Mixing measurement types (IC50 vs Ki) is a scientific error — set standard_type to compare like with like. A popular target carries tens of thousands of rows: results spill to a DataCanvas table (call chembl_dataframe_describe for its columns, then chembl_dataframe_query for honest aggregates across the staged set), while an inline preview answers the immediate question. Each view stages its own table (bioactivities / bioactivities_null_potency), so running both against one canvas_id lets a UNION ALL rebuild the full set. The staged table is capped at CHEMBL_MAX_SPILL_ROWS; when the cap is hit, truncated is true and the table is a bounded slice, not the complete view. The inline rows are always capped at limit, so compare that against totalCount before treating them as the whole answer. Spilling the rest requires CANVAS_PROVIDER_TYPE=duckdb; without it the inline preview is all there is.
| Name | Required | Description | Default |
|---|---|---|---|
| limit | No | Maximum rows in the inline preview. Defaults to the server default (25). The full set still spills to the canvas. | |
| organism | No | Restrict to a target organism, e.g. "Homo sapiens" (case-insensitive exact match). | |
| canvas_id | No | Optional canvas ID from a prior call to reuse the same canvas. Each potency_view re-stages its own table, so a second query of the SAME view REPLACES (overwrites) its prior rows — it does not append — while the other view's table is left intact, which is what lets both coexist on one canvas. Omit to mint a fresh canvas. | |
| assay_type | No | Restrict to an assay type code: "B" (binding), "F" (functional), "A" (ADMET), "T" (toxicity). | |
| potency_view | No | Which side of the pchembl_value presence split to retrieve. "potency_ranked" (default) returns the measurements that have a derivable pchembl_value, most potent first. "null_potency" returns exactly the measurements that have none — the rows the ranked view excludes, otherwise unreachable. The two partition the match set and stage to separate canvas tables. | potency_ranked |
| standard_type | No | Restrict to one measurement type, e.g. "IC50", "Ki", "EC50". Set this to compare potencies validly. | |
| target_chembl_id | No | ChEMBL target ID (from chembl_search_targets), e.g. "CHEMBL203". Supply this, molecule_chembl_id, or both — both narrows to that compound–target pair. | |
| pchembl_value_min | No | Minimum pchembl_value (−log10 molar potency), e.g. 7 keeps sub-100 nM activities. Only valid on the potency_ranked view — the null_potency rows have no pchembl_value to compare against. | |
| molecule_chembl_id | No | ChEMBL molecule ID (from chembl_search_molecules), e.g. "CHEMBL941". Supply this, target_chembl_id, or both — both narrows to that compound–target pair. |
Output Schema
| Name | Required | Description |
|---|---|---|
| notice | No | Guidance when no measurements matched, or how to SQL the spilled set. |
| spilled | Yes | True when the view exceeded the preview and was staged on the canvas. |
| canvas_id | Yes | Canvas ID holding the staged table — pass to chembl_dataframe_describe to list its columns, then to chembl_dataframe_query to run SQL over them. Null when canvas is disabled or nothing spilled. |
| truncated | Yes | True when the CHEMBL_MAX_SPILL_ROWS cap was hit before the upstream view was exhausted — the staged table is a bounded slice, NOT the complete view, so aggregates over it are a sample. Narrow the filters to bring the view under the cap. |
| activities | Yes | Bioactivity rows for the selected potency_view — the inline preview, or the full view when it fit without spilling. |
| table_name | Yes | Canvas table name holding the staged rowset, and the FROM target for chembl_dataframe_query SQL — "bioactivities" for potency_ranked, "bioactivities_null_potency" for null_potency. Null when not spilled. |
| totalCount | Yes | Total matching measurements upstream — the honest full count spanning BOTH potency views, before any preview cap. The staged/preview rows are the selected view of this. |
| potency_view | Yes | Which view these rows came from: "potency_ranked" = measurements with a derivable pchembl_value; "null_potency" = measurements with none. Re-call with the other value to reach the rest of totalCount. |
| appliedFilters | Yes | Filters as the server parsed them. |
| canvasDisabled | Yes | True when CANVAS_PROVIDER_TYPE is not duckdb, so large sets could not spill — the inline rows are a capped preview, not the full set. |
| staged_row_count | Yes | Rows actually registered on the canvas table. Null when nothing spilled. Below the view total when truncated is true. |
Tool Definition Quality
Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?
Annotations declare readOnlyHint, openWorldHint, and idempotentHint, but the description adds far more: the pchembl_value split into two views, canvas table staging behavior, the cap at CHEMBL_MAX_SPILL_ROWS, the 'truncated' flag, the limit compared to totalCount, and the duckdb requirement for spilling. It even discloses that re-running the same view overwrites its prior rows. No annotation contradiction exists; the description builds on the annotations with critical runtime behaviors.
Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.
Is the description appropriately sized, front-loaded, and free of redundancy?
The description is long but every sentence earns its place. It is front-loaded with the core purpose, then methodically covers input requirements, filtering, the pchembl split, and spill behavior. There is no redundancy or fluff; the structure flows from what the tool does, to how to call it, to critical caveats about large result sets.
Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.
Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?
With 9 parameters, multiple views, and large-result spill behavior, the description addresses all major decision points: which IDs to supply, how to choose filter values, the two potency views, the distinction between inline preview and staged table, and the role of totalCount/truncated. An output schema exists, so return-value details are not required, but the description still explains the canonical output fields (totalCount, truncated) and how to reconstruct the full set via UNION ALL.
Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.
Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?
Schema description coverage is 100%, but the description adds meaning well beyond the schema. It explains the relationship between molecule_chembl_id and target_chembl_id (both narrows to the pair), gives concrete examples for pchembl_value_min ('7 keeps sub-100 nM activities'), clarifies standard_type's scientific necessity, and details the potency_view enum semantics (the null_potency view returns rows otherwise unreachable). This is substantial added value over the schema alone.
Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.
Does the description clearly state what the tool does and how it differs from similar tools?
The description opens with a clear, specific statement: 'The flagship compound↔target bioactivity bridge: measurements for a molecule (target deconvolution / selectivity), a target (lead finding), or both together.' This identifies the exact verb (retrieve/list bioactivities) and resource (compound-target bioactivity data), and distinguishes it from sibling tools by defining the three use modes. It also references sibling sources (chembl_search_molecules, chembl_search_targets), further clarifying scope.
Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.
Does the description explain when to use this tool, when not to, or what alternatives exist?
The description provides explicit when-to-use guidance: 'Supply at least one of molecule_chembl_id... or target_chembl_id... supplying both narrows to that compound–target pair, supplying neither is an error.' It also warns against mixing measurement types ('Mixing measurement types (IC50 vs Ki) is a scientific error — set standard_type to compare like with like'), and explains when to use the DataCanvas dataframe tools instead ('results spill to a DataCanvas table (call chembl_dataframe_describe...)'). This is exceptional usage guidance.
Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.
chembl_get_drug_infochembl-get-drug-infoARead-onlyIdempotentInspect
Pharmacology for a drug (molecule): mechanism(s) of action, the molecular target(s) it acts on, action type (inhibitor / agonist / …), first-approval year, and clinical indications with the max phase reached for each. Supply molecule_chembl_id (from chembl_search_molecules). Distinct from the openfda server's label/adverse-event view — this is the curated mechanism-and-indication record. A mechanism's target_chembl_id chains into chembl_get_bioactivities for compounds hitting the same target. Each list carries its own retrieval state: an empty mechanisms or indications array means the molecule has none recorded only when the matching mechanisms_status / indications_status is "complete" — "failed" means the upstream request was rejected and the array says nothing about the molecule, and "truncated" means the page cap bounded the list at fewer rows than the matching *_total_count.
| Name | Required | Description | Default |
|---|---|---|---|
| molecule_chembl_id | Yes | ChEMBL molecule ID (from chembl_search_molecules), e.g. "CHEMBL939" for gefitinib. |
Output Schema
| Name | Required | Description |
|---|---|---|
| notice | No | Disclosure of anything the two lists do not say for themselves: a list whose upstream fetch failed (so its emptiness means nothing), a list the page cap bounded, or — only when both lists came back complete and empty — that the molecule may be a research compound rather than a drug. |
| max_phase | Yes | Max clinical phase across indications: 4 = marketed. Null when unknown. |
| pref_name | Yes | Preferred drug name, e.g. "GEFITINIB". Null when unnamed. |
| mechanisms | Yes | Mechanisms of action. Empty is authoritative only when mechanisms_status is "complete". |
| indications | Yes | Clinical indications. Empty is authoritative only when indications_status is "complete". |
| first_approval | Yes | Year of first approval, e.g. 2003. Null when unapproved or unknown. |
| mechanisms_status | Yes | Retrieval state of the mechanism list. "complete" = every row ChEMBL records is present, so an empty array is a fact about the molecule. "truncated" = the single-request page cap bounded the list, so the array is a prefix of mechanisms_total_count rows. "failed" = the upstream request was rejected, so the empty array is unknown data, NOT evidence that none exist — re-call chembl_get_drug_info to retry. |
| indications_status | Yes | Retrieval state of the indication list. "complete" = every row ChEMBL records is present, so an empty array is a fact about the molecule. "truncated" = the single-request page cap bounded the list, so the array is a prefix of indications_total_count rows. "failed" = the upstream request was rejected, so the empty array is unknown data, NOT evidence that none exist — re-call chembl_get_drug_info to retry. |
| molecule_chembl_id | Yes | The ChEMBL molecule ID queried. |
| mechanisms_total_count | Yes | Total mechanism rows ChEMBL holds for this molecule (upstream page_meta.total_count). Exceeds the returned array length exactly when the status is "truncated". Null when the fetch failed — the count is unknown, never 0. |
| indications_total_count | Yes | Total indication rows ChEMBL holds for this molecule (upstream page_meta.total_count). Exceeds the returned array length exactly when the status is "truncated". Null when the fetch failed — the count is unknown, never 0. |
Tool Definition Quality
Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?
While annotations already declare readOnlyHint and idempotentHint, the description adds critical behavioral nuance: 'an empty mechanisms or indications array means the molecule has none recorded only when the matching mechanisms_status / indications_status is "complete" — "failed" means the upstream request was rejected... and "truncated" means the page cap bounded the list at fewer rows.' This explains how to interpret ambiguous results, going well beyond the annotations.
Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.
Is the description appropriately sized, front-loaded, and free of redundancy?
The description is a single, well-organized paragraph with no filler. Each sentence has a distinct role: purpose, input source, distinction from alternatives, chaining to related tools, and retrieval-state semantics. It is front-loaded with the most important information and remains compact despite its richness.
Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.
Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?
Given the tool's moderate complexity, the description covers all essential aspects: what data is returned, how to obtain the required input, how to interpret edge cases (failed/truncated), and how it relates to sibling tools. An output schema exists, so the absence of an explicit return structure is acceptable. The description fully equips an agent to select and use the tool correctly.
Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.
Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?
The schema already covers the parameter fully at 100% coverage, so the baseline is 3. The description adds value by specifying the source ('from chembl_search_molecules') and a concrete example ('e.g. "CHEMBL939" for gefitinib'), which helps the agent understand the expected format and provenance. This pushes it to a 4.
Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.
Does the description clearly state what the tool does and how it differs from similar tools?
The description opens with 'Pharmacology for a drug (molecule): mechanism(s) of action, the molecular target(s) it acts on, action type (inhibitor / agonist / …), first-approval year, and clinical indications with the max phase reached for each.' This clearly states a specific verb and resource, and even lists the exact data fields. It also distinguishes itself from the openfda label/adverse-event view and from the bioactivities tool, making sibling differentiation clear.
Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.
Does the description explain when to use this tool, when not to, or what alternatives exist?
The description provides explicit usage context: 'Supply molecule_chembl_id (from chembl_search_molecules)' tells the agent where the input comes from, and 'Distinct from the openfda server's label/adverse-event view' tells when not to use this tool. It also gives a follow-up route: 'A mechanism's target_chembl_id chains into chembl_get_bioactivities for compounds hitting the same target,' which is a direct alternative/recommendation.
Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.
chembl_search_moleculeschembl-search-moleculesARead-onlyIdempotentInspect
Discovery entry point for compounds. Find by name / ChEMBL ID / InChIKey with the default search_type=name (supply query), or run a structure search with search_type exact | similarity | substructure (supply structure as a SMILES). At least one of query or structure is required, and structure is required for the three structure modes. Returns ChEMBL ID, preferred name, canonical SMILES, formula, MW, AlogP, Lipinski violations, QED, and max clinical phase on every row; only search_type=similarity adds a Tanimoto similarity percent. Chain molecule_chembl_id into chembl_get_bioactivities or chembl_get_drug_info. A capped result carries nextCursor — pass it back as cursor with the same filters to read the next page.
| Name | Required | Description | Default |
|---|---|---|---|
| limit | No | Maximum molecules to return. Defaults to the server default (25) when omitted. | |
| query | No | Search text for search_type=name — a drug name, ChEMBL ID, or InChIKey, e.g. "imatinib" or "CHEMBL25". | |
| cursor | No | Opaque continuation token from a previous call's nextCursor — resumes where that page ended. Omit for the first page. Re-send the same query/structure/filters that minted it (only limit may change; it sets this page's size); redeeming it against different filters walks a different result set. | |
| structure | No | SMILES string for structure search, e.g. "CC(=O)Oc1ccccc1C(=O)O". Required when search_type is exact/similarity/substructure. | |
| search_type | No | name = text lookup (query); exact = exact structure match; similarity = Tanimoto ≥ threshold; substructure = contains the structure. All structure modes need `structure`. | name |
| max_phase_min | No | For search_type=name, restrict to compounds at or above this max clinical phase (e.g. 4 for marketed drugs only). | |
| similarity_threshold | No | Minimum Tanimoto similarity percent for search_type=similarity (40–100; ChEMBL rejects below 40). Ignored for other modes. |
Output Schema
| Name | Required | Description |
|---|---|---|
| cap | Yes | The limit that was applied. |
| shown | Yes | Number of molecules returned. |
| notice | No | Guidance when nothing matched — echoes the query and suggests how to broaden. |
| molecules | Yes | Matching compounds (up to the limit). |
| truncated | Yes | True when the result was capped at the limit. |
| nextCursor | No | Opaque token for the next page — pass it back as cursor with the same filters. Absent when this page is the last one. |
| totalCount | Yes | Total compounds matching before the limit was applied. |
Tool Definition Quality
Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?
The description adds valuable behavioral context beyond the annotations: pagination via `nextCursor` and `cursor`, capped results, the fact that only similarity adds a Tanimoto percentage, and the external constraint that ChEMBL rejects similarity thresholds below 40. This is substantial context not captured by the readOnly/openWorld/idempotent hints.
Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.
Is the description appropriately sized, front-loaded, and free of redundancy?
The description is compact and front-loaded: it opens with the tool's role, then covers modes, required inputs, output fields, downstream usage, and pagination in four sentences. Every sentence conveys necessary information without redundancy.
Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.
Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?
For a tool with 7 parameters and multiple search modes, the description covers the core purpose, input requirements, output content, downstream integration, and pagination behavior. The presence of a rich output schema and full schema parameter descriptions fills in the remaining details, making this a complete and self-sufficient description.
Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.
Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?
Schema coverage is 100%, so the baseline is 3. The description adds cross-parameter constraints not fully visible in the schema: 'At least one of query or structure is required' and 'structure is required for the three structure modes.' This clarifies the interrelationship between parameters beyond individual descriptions.
Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.
Does the description clearly state what the tool does and how it differs from similar tools?
The description states a specific verb and resource: 'Discovery entry point for compounds' and details the supported search modes (name, exact, similarity, substructure) with input requirements. It clearly distinguishes itself from sibling `chembl_search_targets` by focusing on molecules and compounds.
Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.
Does the description explain when to use this tool, when not to, or what alternatives exist?
The description provides clear context for using the tool: it is the discovery entry point for compounds and explains when to use each search mode. It also suggests downstream chaining to `chembl_get_bioactivities` or `chembl_get_drug_info`. However, it does not explicitly state when not to use the tool or mention alternatives like `chembl_search_targets`.
Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.
chembl_search_targetschembl-search-targetsARead-onlyIdempotentInspect
Resolve a protein/gene/UniProt accession to the ChEMBL target ID that chembl_get_bioactivities needs for the target→leads workflow. Supply at least one of accession (UniProt, e.g. P00533), gene_symbol (e.g. EGFR), or query (free-text name); filter further by organism and target_type. Returns each target with its type, organism, and component UniProt accessions + gene symbols. A UniProt accession from the uniprot/protein server is the most precise input. A capped result carries nextCursor — pass it back as cursor with the same filters to read the next page.
| Name | Required | Description | Default |
|---|---|---|---|
| limit | No | Maximum targets to return. Defaults to the server default (25) when omitted. | |
| query | No | Free-text name match against the target preferred name, e.g. "kinase" or "growth factor receptor". | |
| cursor | No | Opaque continuation token from a previous call's nextCursor — resumes where that page ended. Omit for the first page. Re-send the same accession/gene_symbol/query/filters that minted it (only limit may change; it sets this page's size); redeeming it against different filters walks a different result set. | |
| organism | No | Restrict to a source organism, e.g. "Homo sapiens" (case-insensitive exact match). | |
| accession | No | UniProt accession of a target component, e.g. "P00533". The most precise resolver — from the uniprot/protein server. | |
| gene_symbol | No | Gene symbol of a target component, e.g. "EGFR" (case-insensitive exact match). | |
| target_type | No | Restrict to a target class, e.g. "SINGLE PROTEIN" or "PROTEIN COMPLEX". |
Output Schema
| Name | Required | Description |
|---|---|---|
| cap | Yes | The limit that was applied. |
| shown | Yes | Number of targets returned. |
| notice | No | Guidance when no target matched — echoes the filters and suggests how to broaden. |
| targets | Yes | Matching targets (up to the limit). |
| truncated | Yes | True when the result was capped at the limit. |
| nextCursor | No | Opaque token for the next page — pass it back as cursor with the same filters. Absent when this page is the last one. |
| totalCount | Yes | Total targets matching the filters before the limit was applied. |
Tool Definition Quality
Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?
Annotations already declare readOnlyHint, openWorldHint, and idempotentHint, so the description carries a lighter burden. It adds meaningful context beyond those hints: pagination behavior (nextCursor and cursor), return fields (type, organism, component accessions/gene symbols), and the precision hierarchy. This is useful operational detail not visible in annotations alone.
Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.
Is the description appropriately sized, front-loaded, and free of redundancy?
The description is three sentences, each earning its place: purpose + input requirements, return fields, and pagination guidance. It is front-loaded with the purpose and immediately orients the agent. No filler or redundancy.
Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.
Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?
With an output schema present, the description does not need to detail return values, and it adequately covers workflow context, required inputs, optional filters, precision advice, and pagination—all critical for correct invocation. It names the dependent sibling tool and clearly explains the continuation token mechanics, making the tool usable end-to-end.
Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.
Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?
Schema coverage is 100%, so baseline is 3. The description adds semantic value by explicitly stating that at least one of accession/gene_symbol/query is required (schema marks all as optional) and flags accession as the 'most precise' resolver. It also clarifies cursor behavior ('same filters' and 'only limit may change'), which enriches the raw schema definitions.
Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.
Does the description clearly state what the tool does and how it differs from similar tools?
The opening sentence states a specific verb ('Resolve') with a clear resource (protein/gene/UniProt accession → ChEMBL target ID) and explicitly names the downstream consumer (chembl_get_bioactivities) and workflow (target→leads). This immediately distinguishes it from sibling tools like chembl_search_molecules and chembl_get_bioactivities.
Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.
Does the description explain when to use this tool, when not to, or what alternatives exist?
The description gives concrete usage context: it is required for the target→leads workflow, and specifies input requirements ('Supply at least one of accession, gene_symbol, or query') and optional filters (organism, target_type). It also provides selection advice (UniProt accession is 'the most precise input'). However, it does not explicitly state when not to use this tool or mention alternatives, so it falls short of a 5.
Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.
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