机译:使用源自分子结构的描述符预测抗生素相互作用
Univ Cambridge, Dept Chem, Ctr Mol Informat, Cambridge CB2 1EW, England;
Unilever Res Labs, Wirral CH63 3JW, Merseyside, England;
Boston Univ, Sch Med, Boston, MA 02118 USASabanci Univ, Fac Engn & Nat Sci, TR-34956 Istanbul, Turkey;
机译:ChemInform Abstract: Classification of Some Active Compounds and Their Inactive Analogues Using Two Three‐Dimensional Molecular Descriptors Derived from Computation of Three‐Dimensional Convex Hulls for Structures Theoretically Generated for Them.
机译:Tsinghua University Reports Findings in Machine Learning An Ensemble Structure and Physicochemical (SPOC) Descriptor for Machine-Learning Prediction of Chemical Reaction and Molecular Properties
机译:Shaanxi Normal University Reports Findings in Coronavirus (A dual graph neural network for drug-drug interactions prediction based on molecular structure and interactions)
机译:Membrane Permeability Prediction of Drug-like Molecules with Molecular Dynamics and Free Energy Calculations =基于分子动力学和自由能计算 的药物分子膜渗透性预测
机译:互动sismique entre le sol etlebâti:de l'interaction sol-structureàl'interaction site-ville