A molecular mechanics study of the effect of substitution in position 1 on the conformational space of the oxytocin/vasopressin ring. - Monika Tarnowska; Adam Liwo; Mark D. Shenderovich; Inta Liepina; Alexander Golbraikh; Zbigniew Grzonka; Anna Tempczyk (J. Comput. Aided Mol. Des., 1993)

Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR Analysis. - Alexander Golbraikh (J. Chem. Inf. Comput. Sci., 2000)

Novel Chirality Descriptors Derived from Molecular Topology. - Alexander Golbraikh; Danail Bonchev; Alexander Tropsha (J. Chem. Inf. Comput. Sci., 2001)

Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection. - Alexander Golbraikh; Alexander Tropsha (J. Comput. Aided Mol. Des., 2002)

Novel ZE-Isomerism Descriptors Derived from Molecular Topology and Their Application to QSAR Analysis. - Alexander Golbraikh; Danail Bonchev; Alexander Tropsha (J. Chem. Inf. Comput. Sci., 2002)

Rational selection of training and test sets for the development of validated QSAR models. - Alexander Golbraikh; Min Shen; Zhiyan Xiao; Yun-De Xiao; Kuo-Hsiung Lee; Alexander Tropsha (J. Comput. Aided Mol. Des., 2003)

QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology. - Alexander Golbraikh; Alexander Tropsha (J. Chem. Inf. Comput. Sci., 2003)

QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor. - Assia Kovatcheva; Gerhard Buchbauer; Alexander Golbraikh; Peter Wolschann (J. Chem. Inf. Comput. Sci., 2003)

Combinatorial QSAR of Ambergris Fragrance Compounds. - Assia Kovatcheva; Alexander Golbraikh; Scott Oloff; Yun-De Xiao; Weifan Zheng; Peter Wolschann; Gerhard Buchbauer; Alexander Tropsha (J. Chem. Inf. Model., 2004)

Quantitative Structure-activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors using the k Nearest Neighbor Method and QSAR-based Database Mining. - José L. Medina-Franco; Alexander Golbraikh; Scott Oloff; Rafael Castillo; Alexander Tropsha (J. Comput. Aided Mol. Des., 2005)

Combinatorial QSAR Modeling of P-Glycoprotein Substrates. - Patricia de Cerqueira Lima; Alexander Golbraikh; Scott Oloff; Yunde Xiao; Alexander Tropsha (J. Chem. Inf. Model., 2006)

A Novel Automated Lazy Learning QSAR (ALL-QSAR) Approach: Method Development, Applications, and Virtual Screening of Chemical Databases Using Validated ALL-QSAR Models. - Shuxing Zhang; Alexander Golbraikh; Scott Oloff; Harold Kohn; Alexander Tropsha (J. Chem. Inf. Model., 2006)

Differentiation of AmpC beta-lactamase binders vs. decoys using classification k NN QSAR modeling and application of the QSAR classifier to virtual screening. - Jui-Hua Hsieh; Xiang S. Wang; Denise G. Teotico; Alexander Golbraikh; Alexander Tropsha (J. Comput. Aided Mol. Des., 2008)

Combinatorial QSAR Modeling of Specificity and Subtype Selectivity of Ligands Binding to Serotonin Receptors 5HT1E and 5HT1F. - Xiang S. Wang; Hao Tang; Alexander Golbraikh; Alexander Tropsha (J. Chem. Inf. Model., 2008)

Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling? - Todd M. Martin; Paul Harten; Douglas M. Young; Eugene N. Muratov; Alexander Golbraikh; Hao Zhu 012; Alexander Tropsha (J. Chem. Inf. Model., 2012)

Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening. - Liying Zhang; Denis Fourches; Alexander Sedykh; Hao Zhu 012; Alexander Golbraikh; Sean Ekins; Julie Clark; Michele C. Connelly; Martina Sigal; Dena Hodges; Armand Guiguemde; R. Kiplin Guy; et al. (J. Chem. Inf. Model., 2013)

Data Set Modelability by QSAR. - Alexander Golbraikh; Eugene N. Muratov; Denis Fourches; Alexander Tropsha (J. Chem. Inf. Model., 2014)

Application of Quantitative Structure-Activity Relationship Models of 5-HT1A Receptor Binding to Virtual Screening Identifies Novel and Potent 5-HT1A Ligands. - Man Luo 002; Xiang Simon Wang; Bryan L. Roth; Alexander Golbraikh; Alexander Tropsha (J. Chem. Inf. Model., 2014)

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure-Activity Relationship Models. - Vinicius M. Alves; Alexander Golbraikh; Stephen J. Capuzzi; Kammy Liu; Wai In Lam; Daniel Robert Korn; Diane Pozefsky; Carolina Horta Andrade; Eugene N. Muratov; Alexander Tropsha (J. Chem. Inf. Model., 2018)