Links to Related Resources
Public Compound Databases
- Comparative Toxicogenomics Database (CTD)
- Chemical Industry Supplier Registry
- List of 32 Free Chemistry Databases
- DrugBank
- Madison Metabolomics Consortium Database (MMCD)
- eMolecules
- NCI Database
- ChemBank
- PubChem
- ChemDB (UCI)
- ChemSpider
- KEGG
- ChEBI
- BindingDB
- ZINC: Virtual Screening Database (UCSF)
Cheminformatics Tools
- BKChem (CMP Drawing Program, exports to SVG)
- Jmol
- QSAR
- CDK
- BlueObelisk.org
- CHEMINFORMATICS.ORG
- Open Babel
- JOELib
- PerlMol - Perl Modules for Molecular Chemistry
- ChemPython
- CACTVS
- Open Eye Scientific Software
- ChemAxon
- IUPAC- International Chemical Identifier (INChi)
- WWMM
- WODCA
- TORVS (Univ. Erlangen)
- Corina: 3D structure prediction of compounds
- PASS: Prediction of Activity Spectra for Compounds
- Open Chemsoft: Open Source chemistry software
- Lazy SAR and Toxicology Predictions
- Collection of Tools for Mac-using Chemists
Structure Formats
Basic Chemistry Tools
UCR Screener Links
- Plate_Mappings.xls (including SMILES strings)
- Screening Libraries in SDF
- Screen Upload Instructions