00881nas a2200325 4500000000100000000000100001008004100002260001500043653002800058653001800086653001900104653002600123653003400149653002800183653002700211100001900238700001900257700002800276700001900304700001100323700002400334700001700358700001500375700001300390700001600403245005200419856006400471490000600535022001400541 2023 d c2023-07-0110aArtificial intelligence10aBiotechnology10aDrug Discovery10aGraph neural networks10aMolecular dynamics simulation10aMolecule representation10aReinforcement learning1 aRizwan Qureshi1 aMuhammad Irfan1 aTaimoor Muzaffar Gondal1 aSheheryar Khan1 aJia Wu1 aMuhammad Usman Hadi1 aJohn Heymach1 aXiuning Le1 aHong Yan1 aTanvir Alam00aAI in drug discovery and its clinical relevance uhttps://www.cell.com/heliyon/abstract/S2405-8440(23)04783-70 v9 a2405-8440