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ORCIDAlexander Golbraikh
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2010 – 2019
- 2018
[j19]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:
Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure-Activity Relationship Models. J. Chem. Inf. Model. 58(6): 1214-1223 (2018)- 2014
- [j18]Alexander Golbraikh, Eugene N. Muratov, Denis Fourches, Alexander Tropsha:
Data Set Modelability by QSAR. J. Chem. Inf. Model. 54(1): 1-4 (2014) - [j17]Man Luo, Xiang Simon Wang, Bryan L. Roth, Alexander Golbraikh, Alexander Tropsha:
Application of Quantitative Structure-Activity Relationship Models of 5-HT1A Receptor Binding to Virtual Screening Identifies Novel and Potent 5-HT1A Ligands. J. Chem. Inf. Model. 54(2): 634-647 (2014) - 2013
- [j16]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:
Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening. J. Chem. Inf. Model. 53(2): 475-492 (2013) - 2012
- [j15]Todd Martin, Paul Harten, Douglas M. Young, Eugene N. Muratov, Alexander Golbraikh, Hao Zhu, Alexander Tropsha:
Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling? J. Chem. Inf. Model. 52(10): 2570-2578 (2012)
2000 – 2009
- 2008
- [j14]Jui-Hua Hsieh, Xiang S. Wang, Denise G. Teotico, Alexander Golbraikh, Alexander Tropsha:
Differentiation of AmpC beta-lactamase binders vs. decoys using classification k NN QSAR modeling and application of the QSAR classifier to virtual screening. J. Comput. Aided Mol. Des. 22(9): 593-609 (2008) - [j13]Xiang S. Wang, Hao Tang, Alexander Golbraikh, Alexander Tropsha:
Combinatorial QSAR Modeling of Specificity and Subtype Selectivity of Ligands Binding to Serotonin Receptors 5HT1E and 5HT1F. J. Chem. Inf. Model. 48(5): 997-1013 (2008) - 2006
- [j12]Patricia de Cerqueira Lima, Alexander Golbraikh, Scott Oloff, Yunde Xiao, Alexander Tropsha:
Combinatorial QSAR Modeling of P-Glycoprotein Substrates. J. Chem. Inf. Model. 46(3): 1245-1254 (2006) - [j11]Shuxing Zhang, Alexander Golbraikh, Scott Oloff, Harold Kohn, Alexander Tropsha:
A Novel Automated Lazy Learning QSAR (ALL-QSAR) Approach: Method Development, Applications, and Virtual Screening of Chemical Databases Using Validated ALL-QSAR Models. J. Chem. Inf. Model. 46(5): 1984-1995 (2006) - 2005
- [j10]José L. Medina-Franco, Alexander Golbraikh, Scott Oloff, Rafael Castillo, Alexander Tropsha:
Quantitative Structure-activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors using the k Nearest Neighbor Method and QSAR-based Database Mining. J. Comput. Aided Mol. Des. 19(4): 229-242 (2005) - 2004
- [j9]Assia Kovatcheva, Alexander Golbraikh, Scott Oloff, Yun-De Xiao, Weifan Zheng, Peter Wolschann, Gerhard Buchbauer, Alexander Tropsha:
Combinatorial QSAR of Ambergris Fragrance Compounds. J. Chem. Inf. Model. 44(2): 582-595 (2004) - 2003
- [j8]Alexander Golbraikh, Min Shen, Zhiyan Xiao, Yun-De Xiao, Kuo-Hsiung Lee, Alexander Tropsha:
Rational selection of training and test sets for the development of validated QSAR models. J. Comput. Aided Mol. Des. 17(2-4): 241-253 (2003) - [j7]Alexander Golbraikh, Alexander Tropsha:
QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology. J. Chem. Inf. Comput. Sci. 43(1): 144-154 (2003) - [j6]Assia Kovatcheva, Gerhard Buchbauer, Alexander Golbraikh, Peter Wolschann:
QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor. J. Chem. Inf. Comput. Sci. 43(1): 259-266 (2003) - 2002
- [j5]Alexander Golbraikh, Alexander Tropsha:
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection. J. Comput. Aided Mol. Des. 16(5-6): 357-369 (2002) - [j4]Alexander Golbraikh, Danail Bonchev, Alexander Tropsha:
Novel ZE-Isomerism Descriptors Derived from Molecular Topology and Their Application to QSAR Analysis. J. Chem. Inf. Comput. Sci. 42(4): 769-787 (2002) - 2001
- [j3]Alexander Golbraikh, Danail Bonchev, Alexander Tropsha:
Novel Chirality Descriptors Derived from Molecular Topology. J. Chem. Inf. Comput. Sci. 41(1): 147-158 (2001) - 2000
- [j2]Alexander Golbraikh:
Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR Analysis. J. Chem. Inf. Comput. Sci. 40(2): 414-425 (2000)
1990 – 1999
- 1993
- [j1]Monika Tarnowska, Adam Liwo, Mark D. Shenderovich, Inta Liepina, Alexander Golbraikh, Zbigniew Grzonka, Anna Tempczyk:
A molecular mechanics study of the effect of substitution in position 1 on the conformational space of the oxytocin/vasopressin ring. J. Comput. Aided Mol. Des. 7(6): 699-720 (1993)
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