Alexander Golbraikh
Title
Cited by
Cited by
Year
Beware of q2!
A Golbraikh, A Tropsha
Journal of molecular graphics and modelling 20 (4), 269-276, 2002
33202002
Rational selection of training and test sets for the development of validated QSAR models
A Golbraikh, M Shen, Z Xiao, YD Xiao, KH Lee, A Tropsha
Journal of computer-aided molecular design 17 (2-4), 241-253, 2003
6012003
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
A Golbraikh, A Tropsha
Molecular diversity 5 (4), 231-243, 2000
5912000
Predictive QSAR modeling workflow, model applicability domains, and virtual screening
A Tropsha, A Golbraikh
Current pharmaceutical design 13 (34), 3494-3504, 2007
3602007
A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models
S Zhang, A Golbraikh, S Oloff, H Kohn, A Tropsha
Journal of chemical information and modeling 46 (5), 1984-1995, 2006
2152006
Does rational selection of training and test sets improve the outcome of QSAR modeling?
TM Martin, P Harten, DM Young, EN Muratov, A Golbraikh, H Zhu, ...
Journal of chemical information and modeling 52 (10), 2570-2578, 2012
1762012
Development and Validation of k-Nearest-Neighbor QSPR Models of Metabolic Stability of Drug Candidates
M Shen, Y Xiao, A Golbraikh, VK Gombar, A Tropsha
Journal of medicinal chemistry 46 (14), 3013-3020, 2003
1652003
Application of predictive QSAR models to database mining: identification and experimental validation of novel anticonvulsant compounds
M Shen, C Béguin, A Golbraikh, JP Stables, H Kohn, A Tropsha
Journal of medicinal chemistry 47 (9), 2356-2364, 2004
1592004
Probing of the receptor-binding sites of the H1 and H3 influenza A and influenza B virus hemagglutinins by synthetic and natural sialosides
MN Matrosovich, AS Gambaryan, AB Tuzikov, NE Byramova, ...
Virology 196 (1), 111-121, 1993
1551993
Quantitative Structure−Activity Relationship Analysis of Functionalized Amino Acid Anticonvulsant Agents Using k Nearest Neighbor and Simulated Annealing PLS …
M Shen, A LeTiran, Y Xiao, A Golbraikh, H Kohn, A Tropsha
Journal of medicinal chemistry 45 (13), 2811-2823, 2002
1542002
QSAR modeling of the blood–brain barrier permeability for diverse organic compounds
L Zhang, H Zhu, TI Oprea, A Golbraikh, A Tropsha
Pharmaceutical research 25 (8), 1902, 2008
1532008
Novel chirality descriptors derived from molecular topology
A Golbraikh, D Bonchev, A Tropsha
Journal of chemical information and computer sciences 41 (1), 147-158, 2001
1472001
Combinatorial QSAR modeling of P-glycoprotein substrates
P de Cerqueira Lima, A Golbraikh, S Oloff, Y Xiao, A Tropsha
Journal of chemical information and modeling 46 (3), 1245-1254, 2006
1372006
QSAR modeling using chirality descriptors derived from molecular topology
A Golbraikh, A Tropsha
Journal of chemical information and computer sciences 43 (1), 144-154, 2003
1372003
Combinatorial QSAR of ambergris fragrance compounds
A Kovatcheva, A Golbraikh, S Oloff, YD Xiao, W Zheng, P Wolschann, ...
Journal of chemical information and computer sciences 44 (2), 582-595, 2004
1152004
Development of Quantitative Structure− Binding Affinity Relationship Models Based on Novel Geometrical Chemical Descriptors of the Protein− Ligand Interfaces
S Zhang, A Golbraikh, A Tropsha
Journal of medicinal chemistry 49 (9), 2713-2724, 2006
972006
Antitumor Agents. 213. Modeling of Epipodophyllotoxin Derivatives Using Variable Selection k Nearest Neighbor QSAR Method
Z Xiao, YD Xiao, J Feng, A Golbraikh, A Tropsha, KH Lee
Journal of medicinal chemistry 45 (11), 2294-2309, 2002
952002
Integrative chemical–biological read-across approach for chemical hazard classification
Y Low, A Sedykh, D Fourches, A Golbraikh, M Whelan, I Rusyn, ...
Chemical research in toxicology 26 (8), 1199-1208, 2013
872013
Data set modelability by QSAR
A Golbraikh, E Muratov, D Fourches, A Tropsha
Journal of chemical information and modeling 54 (1), 1-4, 2014
822014
Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening
L Zhang, D Fourches, A Sedykh, H Zhu, A Golbraikh, S Ekins, J Clark, ...
Journal of chemical information and modeling 53 (2), 475-492, 2013
712013
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Articles 1–20