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Links to Related Resources

1. Public Compound Databases

   • Madison Metabolomics Consortium Database (MMCD)
   • eMolecules
   • NCI Database
   • ChemBank
   • PubChem
   • ChemDB (UCI)
   • ChemSpider
   • KEGG
   • ChEBI
   • BindingDB
   • ZINC: Virtual Screening Database (UCSF)
   • Ligand.Info: Small-Molecule Meta-Database

2. Cheminformatics Tools

   • 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

3. Structure Formats

   • SMILES, SMARTS, Fingerprints, etc. (Daylight)
   • MOL, SDF, etc. (MDL)

4. Basic Chemistry Tools

   • Chemistry Periodic Table
   • American Elements

5. UCR Screener Links

   • Plate_Mappings.xls (including SMILES strings)
   • Screening Libraries in SDF
   • Screen Upload Instructions

6. Similarity search programs

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