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CovaSyn Chemistry Tools

covasolve_predict

SOLUBILITY PREDICTION — ML model trained on 50k+ experimental data points.

**Always use this tool when the user asks about solubility, log S, dissolution,
or "how much X dissolves in Y".** Much more accurate than the heuristic logS
in `covachem_profile` and explicitly accounts for the solvent (covachem only
gives intrinsic water-logS).

Returns: log S (mol/L), mg/mL, g/L, mole fraction, 95% confidence interval,
model confidence (0-1), applicability domain flag.

Solvent SMILES examples:
  water = "O"
  ethanol = "CCO"
  methanol = "CO"
  DMSO = "CS(C)=O"
  acetone = "CC(C)=O"
  ethyl acetate = "CCOC(C)=O"

Cost: 5 credits, available on Free tier.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
api_keyNo
solute_smilesYes
temperature_kNo
solvent_smilesNoO

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
resultYes

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observed

TDQS

Score is being calculated.

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