Golbraikh, Alexander

Beware of q2!

Golbraikh, A., & Tropsha, A. (2002) · Journal of Molecular Graphics and Modelling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 3,735

Rational selection of training and test sets for the development of validated QSAR models

Golbraikh, A., Shen, M., Xiao, Z., Xiao, Y.-D., Lee, K.-H., & Tropsha, A. (2003) · Journal of Computer-Aided Molecular Design

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 712

Data Set Modelability by QSAR

Golbraikh, A., Muratov, E., Fourches, D., & Tropsha, A. (2014) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 152

Application of Quantitative Structure–Activity Relationship Models of 5-HT1A Receptor Binding to Virtual Screening Identifies Novel and Potent 5-HT1A Ligands

Luo, M., Wang, X. S., Roth, B. L., Golbraikh, A., & Tropsha, A. (2014) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsReceptor Mechanisms and Signaling

Cited by 37