Table 1.
Different data resources in the pharmaceutical sector for AI-driven drug discovery
| Sl. No. | Name of database | Web address | Remarks | Reference |
|---|---|---|---|---|
| 1. | ChemDB | http://cdb.ics.uci.edu/ | The chemical database encompasses approximately 5 million commercially accessible small molecules. It also holds the experimentally determined and predicted physicochemical properties |
Chen et al.19 |
| 2. | STITCH | http://stitch.embl.de/ | The database of identified and expected molecular interactions between proteins and chemicals, with 9,643,763 proteins derived from 2,031 organisms | Szklarczyk et al.21 |
| 3. | INPUT | http://cbcb.cdutcm.edu.cn/INPUT/ | The network pharmacology web database dedicated for traditional Chinese medicine it holds total 29,812 compounds, which was collected from 4,716 Chinese herbs |
Li et al.22 |
| 4. | DGIdb | http://www.dgidb.org/ | The specialized database offered information on drug testing index and druggable genomes over the 30 reliable sources | Freshour et al.23 |
| 5. | DTC | http://drugtargetcommons.fimm.fi/ | The crowd-sourcing platform delivers drug-target bioactivity data and cataloging of its targets | Tang et al.24 |
| 6. | SIDER | http://sideeffects.embl.de/ | The database affords information about the advertised medicines and its recorded adverse reactions | Campillos et al.25 |
| 7. | ChEMBL | https://www.ebi.ac.uk/chembl/ | The database consist of bioactive molecules having drug-like properties it collects bioactivity, chemical, and genomic data to support the translation of genomic evidence into operative new drugs. |
Mendez et al.26 |
| 8. | PubChem | https://pubchem.ncbi.nlm.nih.gov/ | The open access chemistry database platform that delivers significant information about the molecules, like as chemical structures, identifiers, chemical status, physical properties, and others associated biological activities | Kim et al.27 |
| 9. | COCONUT | https://coconut.naturalproducts.net/ | The database has 407,270 exclusive natural products, and it have the evidence about their molecular properties, molecular descriptors | Sorokina et al.28 |
| 10. | DrugBank | http://www.drugbank.ca/ | The database of drugs, its targets, 3D structures, and additional convenient information | Wishart et al.29 |