Source data

The CC benefits from many resources. The following is an extensive list of resources that are worth considering. Not all of them are currently incorporated in the CC.

Observational data resources

A. Chemistry

• RDKIT
• DeepChem
• ChemoPy
• E3FP
• [ ]
• Hierarchy
• BLOCKS

B. Targets

• DrugBank mode of action and metabolic genes
• ChEMBL
• BindingDB
• STITCH
• Therapeutic Target Database
• Comparative Toxicogenomics Database
• PubChem Bioassays
• HTS bioassays matrices from paper XXX
• Touchstone binding data
• Human Metabolome Database

C. Networks

• Chemical Entities of Biological Interest (ChEBI)
• MetaPhORS
• STRING
• InWEB
• Recon 1
• PathwayCommons
• Reactome
• KEGG

D. Cells

• Genomics of Cell Sensitivity in Cancer (GDSC)
• Cancer Cell Line Enciclopedia (CCLE)
• NCI-60
• CTRP
• [ ]

E. Clinics

• [X]

Prediction tools