Yang, ZY., Fu, L., Lu, AP. et al.
Related Publications
[1] Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion
[2] QSAR-assisted-MMPA to expand chemical transformation space for lead optimization
Fu L, Yang ZY, Yang ZJ, Yin MZ, Lu AP, Chen X, Liu S, Hou TJ, Cao DS.
[3] Systematic Modeling of logD7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis
Fu L, Liu L, Yang ZJ, Li P, Ding JJ, Yun YH, Lu AP, Hou TJ, Cao DS.
[5] Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?
4. Griffen EJ, Dossetter AG, Leach AG et al.
[6] Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA)
5. Kramer C, Ting A, Zheng H, Hert J, Schindler T, Stahl M, Robb G, Crawford JJ, Blaney J, Montague S, Leach AG, Dossetter AG, Griffen EJ.
[7] Matched molecular pair analysis: significance and the impact of experimental uncertainty
Kramer C, Fuchs JE, Whitebread S, Gedeck P, Liedl KR.