Alexander Golbraikh

According to our database, Alexander Golbraikh authored at least 19 papers between 1993 and 2018.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2018

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

2014

Application of Quantitative Structure-Activity Relationship Models of 5-HT_1A Receptor Binding to Virtual Screening Identifies Novel and Potent 5-HT_1A Ligands.

Man Luo, Xiang Simon Wang, Bryan L. Roth, Alexander Golbraikh, Alexander Tropsha

J. Chem. Inf. Model., 2014

Data Set Modelability by QSAR.

Alexander Golbraikh, Eugene N. Muratov, Denis Fourches, Alexander Tropsha

J. Chem. Inf. Model., 2014

2013

Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening.

Liying Zhang, Denis Fourches, Alexander Sedykh, Hao Zhu, Alexander Golbraikh, Sean Ekins, Julie Clark, Michele C. Connelly, Martina Sigal, Dena Hodges, Armand Guiguemde, R. Kiplin Guy, Alexander Tropsha

J. Chem. Inf. Model., 2013

2012

Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling?

Todd Martin, Paul Harten, Douglas M. Young, Eugene N. Muratov, Alexander Golbraikh, Hao Zhu, Alexander Tropsha

J. Chem. Inf. Model., 2012

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

Differentiation of AmpC beta-lactamase binders vs. decoys using classification <i>k</i> 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

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

Combinatorial QSAR Modeling of P-Glycoprotein Substrates.

Patricia de Cerqueira Lima, Alexander Golbraikh, Scott Oloff, Yunde Xiao, Alexander Tropsha

J. Chem. Inf. Model., 2006

2005

Quantitative Structure-activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors using the <i>k</i> 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

2004

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

2003

QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor.

Assia Kovatcheva, Gerhard Buchbauer, Alexander Golbraikh, Peter Wolschann

J. Chem. Inf. Comput. Sci., 2003

QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology.

Alexander Golbraikh, Alexander Tropsha

J. Chem. Inf. Comput. Sci., 2003

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

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

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

2001

Novel Chirality Descriptors Derived from Molecular Topology.

Alexander Golbraikh, Danail Bonchev, Alexander Tropsha

J. Chem. Inf. Comput. Sci., 2001

2000

Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR Analysis.

Alexander Golbraikh

J. Chem. Inf. Comput. Sci., 2000

1993

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