Estimating AChE inhibitors from MCE database by machine learning and atomistic calculations
Quynh Mai Thai, Trung Hai Nguyen, George Binh Lenon, Huong Thi Thu Phung, Jim‐Tong Horng, Phuong‐Thao Tran, Sơn Tùng Ngô
Topics & Concepts
AchéComputer scienceArtificial intelligenceChemistryAcetylcholinesteraseBiochemistryEnzymeComputational Drug Discovery MethodsReceptor Mechanisms and SignalingPharmacogenetics and Drug Metabolism