Alexander Golbraikh - researchr alias

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Viewing Publication 1 - 19 from 19

2018

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure-Activity Relationship ModelsVinicius 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. jcisd, 58(6):1214-1223, 2018. [doi]

2014

Data Set Modelability by QSARAlexander Golbraikh, Eugene N. Muratov, Denis Fourches, Alexander Tropsha. jcisd, 54(1):1-4, 2014. [doi]

1A LigandsMan Luo, Xiang Simon Wang, Bryan L. Roth, Alexander Golbraikh, Alexander Tropsha. jcisd, 54(2):634-647, 2014. [doi]

2013

Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual ScreeningLiying 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. jcisd, 53(2):475-492, 2013. [doi]

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. jcisd, 52(10):2570-2578, 2012. [doi]

2008

k NN QSAR modeling and application of the QSAR classifier to virtual screeningJui-Hua Hsieh, Xiang S. Wang, Denise G. Teotico, Alexander Golbraikh, Alexander Tropsha. jcamd, 22(9):593-609, 2008. [doi]

Combinatorial QSAR Modeling of Specificity and Subtype Selectivity of Ligands Binding to Serotonin Receptors 5HT1E and 5HT1FXiang S. Wang, Hao Tang, Alexander Golbraikh, Alexander Tropsha. jcisd, 48(5):997-1013, 2008. [doi]

2006

Combinatorial QSAR Modeling of P-Glycoprotein SubstratesPatricia de Cerqueira Lima, Alexander Golbraikh, Scott Oloff, Yunde Xiao, Alexander Tropsha. jcisd, 46(3):1245-1254, 2006. [doi]

A Novel Automated Lazy Learning QSAR (ALL-QSAR) Approach: Method Development, Applications, and Virtual Screening of Chemical Databases Using Validated ALL-QSAR ModelsShuxing Zhang, Alexander Golbraikh, Scott Oloff, Harold Kohn, Alexander Tropsha. jcisd, 46(5):1984-1995, 2006. [doi]

2005

k Nearest Neighbor Method and QSAR-based Database MiningJosé L. Medina-Franco, Alexander Golbraikh, Scott Oloff, Rafael Castillo, Alexander Tropsha. jcamd, 19(4):229-242, 2005. [doi]

2004

Combinatorial QSAR of Ambergris Fragrance CompoundsAssia Kovatcheva, Alexander Golbraikh, Scott Oloff, Yun-De Xiao, Weifan Zheng, Peter Wolschann, Gerhard Buchbauer, Alexander Tropsha. jcisd, 44(2):582-595, 2004. [doi]

2003

2002

Novel ZE-Isomerism Descriptors Derived from Molecular Topology and Their Application to QSAR AnalysisAlexander Golbraikh, Danail Bonchev, Alexander Tropsha. jcisd, 42(4):769-787, 2002. [doi]

Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selectionAlexander Golbraikh, Alexander Tropsha. jcamd, 16(5-6):357-369, 2002. [doi]

2001

Novel Chirality Descriptors Derived from Molecular TopologyAlexander Golbraikh, Danail Bonchev, Alexander Tropsha. jcisd, 41(1):147-158, 2001. [doi]

2000

Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR AnalysisAlexander Golbraikh. jcisd, 40(2):414-425, 2000. [doi]

1993

A molecular mechanics study of the effect of substitution in position 1 on the conformational space of the oxytocin/vasopressin ringMonika Tarnowska, Adam Liwo, Mark D. Shenderovich, Inta Liepina, Alexander Golbraikh, Zbigniew Grzonka, Anna Tempczyk. jcamd, 7(6):699-720, 1993.

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