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. 2021 Nov 5;27(4):1099–1107. doi: 10.1016/j.drudis.2021.10.022

Table 1.

Comparison of emerging AI teams and their respective technologies.

AI team Technique In vitro In vivo Clinical trials
BenevolentAI Knowledge graphs and protein pocket analysis
Atomwise Molecular docking prediction; GAN de novo synthesis of chemotypes
Insilico Medicine, ComboNet GCN in silico analysis of drug combinations
DeepDrug eMolFrag, eSynth, eToxPred, eDrugRes, eVir, eComb ✓ (Approved May 2021)