Computational Resources

Computational Resources:

• GreenScreen
  • Secure, web-enabled, compound and HTS data management resource
• Scifinder- Compound and patent search (site license)
• Chem Axon- structure-based modeling, chemical properties and structural clustering
• Data Warrior- Cheminformatics program for data visualization and analysis
  • http://www.openmolecules.org/datawarrior/
  • Available for general use
• Shrodinger Modeling Package
• Zinc 15 data bases
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• Chemdraw
• Swiss ADME (Available for general use)
  • http://swissadme.ch/
  • (Do not use Chrome Web browser)
• Swiss Similarity (A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening)
  • http://www.swisssimilarity.ch/
  • (Do not use Chrome Web browser)

 

Patent Searching Resources:

• Google patent
  • https://www.google.com/?tbm=pts&gws_rd=ssl
• Substructure and similarity searching
  • https://www.surechembl.org/search/