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CovaSyn Chemistry Tools

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covabasic_analyze

Compute molecular descriptors from SMILES.

scope options:
  "basic"    — 40+ RDKit descriptors (atoms, bonds, rings, scaffolds, HBD/HBA, MW, complexity)
  "extended" — basic + Chi indices, Kier-Hall, Gasteiger charges, flexibility ratio
  "lipophilicity" — LogP, MR, TPSA, LabuteASA surface descriptors
  "mordred"  — 100 Mordred 2D descriptors (autocorrelation, topology, information content)
  "all"      — everything combined

Input Schema

TableJSON Schema

Name	Required	Description	Default
`scope`	No		basic
`smiles`	Yes
`api_key`	No

Output Schema

TableJSON Schema

Name	Required	Description	Default
`result`	Yes

Schema Changelog

Changes observed during successful MCP inspections.

First observedOct 9, 2026

TDQS

Score is being calculated.

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