Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World
利用化学结构进行毒性预测的机器学习:现实世界成功的基石
期刊:Chemical Research in Toxicology
影响因子:3.8
doi:10.1021/acs.chemrestox.5c00033
Seal, Srijit; Mahale, Manas; García-Ortegón, Miguel; Joshi, Chaitanya K; Hosseini-Gerami, Layla; Beatson, Alex; Greenig, Matthew; Shekhar, Mrinal; Patra, Arijit; Weis, Caroline; Mehrjou, Arash; Badré, Adrien; Paisley, Brianna; Lowe, Rhiannon; Singh, Shantanu; Shah, Falgun; Johannesson, Bjarki; Williams, Dominic; Rouquie, David; Clevert, Djork-Arné; Schwab, Patrick; Richmond, Nicola; Nicolaou, Christos A; Gonzalez, Raymond J; Naven, Russell; Schramm, Carolin; Vidler, Lewis R; Mansouri, Kamel; Walters, W Patrick; Wilk, Deidre Dalmas; Spjuth, Ola; Carpenter, Anne E; Bender, Andreas