Chemistry MCP server

What it does

CovaSyn is a deterministic chemistry MCP server with 130+ tools across cheminformatics, ADME, toxicology, mass spectrometry, NMR, protein folding, biologics, and platform workflows. It is designed for pharma, biotech, and CDMO teams that need regulatory-compliant, version-pinned chemistry computations callable from AI agents.

• Run ICH M7 mutagenic impurity assessment and toxicology workflows (Tox21, CYP450) on drug candidates with audit-trail compliance.
• Query molecular properties like pKa, ADME profiles, druglikeness, and canonical SMILES across batches of compounds.
• Perform protein/RNA folding, docking, and binding site prediction for ligand-target analysis in structure-based drug design.

Tools this server exposes

Tool	Does
covabasic	Core cheminformatics: canonicalization, fingerprints, and druglikeness assessment.
covachem	ADME and physicochemical properties: pKa, solubility, permeability profiling, and compound comparison.
covatox	Toxicology assessment including ICH M7 batch mutagenicity, Tox21, and CYP450 interaction prediction.
covams	Mass spectrometry analysis: formula calculation, fragment prediction, impurity detection, and retention time.
covanmr	NMR analysis for 1D, 2D, batch processing, and compound identification.
covafold	Protein and RNA folding prediction and binding site identification.
covabio	Biologics tools for antibodies, peptides, ADCs, mRNA, oligonucleotides, and siRNA.
covaplatform	Stability (ICH Q1), design of experiments, chromatography, UV/IR spectroscopy, regulatory database queries, and molecular docking.

Before you enable it

An MCP server runs with whatever access you give it. Start with a development account rather than production, and check which tools the server exposes before you let an agent call them unattended.