Table 1.
List of Compound and Bio-activity databases.
| Reference | Description | Link |
|---|---|---|
| PubChem [27] | Largest collection of freely accessible chemical and bio-activity information | https://pubchem.ncbi.nlm.nih.gov/ |
| ChEMBL [65] | A large-scale bioactivity database for drug discovery | https://www.ebi.ac.uk/chembl/ |
| DrugBank [66] | A knowledge-base of drugs, drug actions, and drug targets | https://go.drugbank.com/ |
| ZINC [67] | An open resource for virtual screening of compounds | https://zinc.docking.org/ |
| BindingDB [68] | A database of measuring binding affinity between target and the drug | https://www.bindingdb.org/bind/index.jsp |
| ADME [69] | An online database for pharmacokinetic information | https://www.fujitsu.com/global/solutions/business-technology/tc/sol/admedatabase/ |
| STITCH [70] | An integrated database of chemical-protein interactions | http://stitch.embl.de/ |
| SIDER [71] | Marketed medicines and their recorded adverse drug reactions | http://sideeffects.embl.de/ |
| GDSC [72] | Drug response data and genomic biomarkers | https://www.cancerrxgene.org/ |
| PDBBind [73] | A comprehensive collection of binding affinities for the protein–ligand complexes in the Protein Data Bank (PDB) | http://www.pdbbind.org.cn/ |
| canSar [74] | Cancer translational research and drug discovery knowledgebase | https://cansarblack.icr.ac.uk/ |