Drug Discovery Products

This site area is intended to help identify and curate industry suppliers that provide drug discovery software or drug discovery products of particular interest to professionals. We are working on a self-service option so that listed companies may update it themselves.

If your company would like to be included in this list of drug discovery software providers or drug discovery suppliers, please contact us with the information for the table.

CompanyTypeEst. EmployeesRelevant Specialty
ThermoFisherProducts70,000Biological Reagents and Assay Components
Dassault Systems BIOVIAProducts20,000 Comp Chem, AI/ML, software and contract research
Millipore SigmaProducts5,125Specialty chemicals, manufacturing
MedChemExpressProducts2,500Relevant specialty: small molecules, recombinant proteins, screening libraries, custom synthesis
ChemDivProducts658Integrated drug discovery, custom chemistry, HTS
PharmaBlockProducts500Building blocks, intermediates and APIs
Accela ChemBioProducts500Building blocks, intermediates and advanced API
ExcelraProducts500GOSTAR, activity data provider, comp. chemistry
SpotfireProducts500Data visualization software, cheminformatics
Cayman Chemical Products500Screening libraries, LNPs, assays, small molecules
AstaTechProducts400Catalog/bulk building blocks, custom synthesis, APIs
DotmaticsProducts250Drug discovery software, cheminformatics
SchrodingerProducts250Computational chemistry software
BOC SciencesProducts250Inhibitors, impurities, intermediates, custom synthesis
EnamineProducts221Specialty building blocks, libraries
SinocompoundProducts213Homogeneous catalysts and ligands, custom synthesis
InsilicoProducts200AI-driven drug discovery and development
Life ChemicalsProducts100Targeted libraries, custom synthesis
Molecular DiscoveryProducts75MetaSite metabolic site prediction software
GenevacProducts75Centrifugal evaporation/concentration systems
TargetmolProducts75Screening libraries and compounds
Primetech CorporationProduct60Programmable refillable implantable infusion pumps
Collaborative DrugProducts50Informatics, ELN, data management & visualization
CressetProducts47Services for molecule discovery and design
eMoleculesProducts41Advanced chemical intermediates, specialty chemicals
Optibrium (StarDrop)Products40Drug discovery software, predictive ADME
Key OrganicsProducts36Provision of intermediates, screening compounds and fragment libraries. >200,000 compounds
GenialisProducts30Biomarker discovery: informatics, data infrastructure, AI/ML
ChemSpaceProducts30Marketplace for chemicals
Vitas-M LaboratoryProducts30Fragments for early stage drug discovery
MolPortProducts26Screening compounds
Otava ChemicalProducts25Fragment libraries, compound libraries for HTS
Chemical Computing GroupProducts25Computer-aided drug design tools
AChemBlockProducts22Specialty building blocks, manufacturing
AinnocenceProduct20Expert AI Med-Chem Companion
Focus BiomoleculesProducts20Bioactive modulators, US manufacturer
MedChemExpressProducts20Bioactive compounds, tool compounds
CombiBlocksProducts10Building blocks
Galaxy GenomicsProducts10Protein, peptide and enzyme engineering and design
OpenBenchProducts5Virtual screening, structure based hit discovery
EvidenticProduct5original therapeutic molecules, analytics
ExamolProduct10Computational Platform/Marketplace