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ORCIDBibTeX records: Alexander Golbraikh
@article{DBLP:journals/jcisd/AlvesGCLLKPAMT18,
author = {Vinicius M. Alves and
Alexander Golbraikh and
Stephen J. Capuzzi and
Kammy Liu and
Wai In Lam and
Daniel Robert Korn and
Diane Pozefsky and
Carolina Horta Andrade and
Eugene N. Muratov and
Alexander Tropsha},
title = {Multi-Descriptor Read Across (MuDRA): {A} Simple and Transparent Approach
for Developing Accurate Quantitative Structure-Activity Relationship
Models},
journal = {J. Chem. Inf. Model.},
volume = {58},
number = {6},
pages = {1214--1223},
year = {2018},
url = {https://doi.org/10.1021/acs.jcim.8b00124},
doi = {10.1021/ACS.JCIM.8B00124},
timestamp = {Tue, 01 Jun 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/AlvesGCLLKPAMT18.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GolbraikhMFT14,
author = {Alexander Golbraikh and
Eugene N. Muratov and
Denis Fourches and
Alexander Tropsha},
title = {Data Set Modelability by {QSAR}},
journal = {J. Chem. Inf. Model.},
volume = {54},
number = {1},
pages = {1--4},
year = {2014},
url = {https://doi.org/10.1021/ci400572x},
doi = {10.1021/CI400572X},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/GolbraikhMFT14.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/LuoWRGT14,
author = {Man Luo and
Xiang Simon Wang and
Bryan L. Roth and
Alexander Golbraikh and
Alexander Tropsha},
title = {Application of Quantitative Structure-Activity Relationship Models
of 5-HT\({}_{\mbox{1A}}\) Receptor Binding to Virtual Screening Identifies
Novel and Potent 5-HT\({}_{\mbox{1A}}\) Ligands},
journal = {J. Chem. Inf. Model.},
volume = {54},
number = {2},
pages = {634--647},
year = {2014},
url = {https://doi.org/10.1021/ci400460q},
doi = {10.1021/CI400460Q},
timestamp = {Fri, 31 Mar 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/LuoWRGT14.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/ZhangFSZGECCSHGGT13,
author = {Liying Zhang and
Denis Fourches and
Alexander Sedykh and
Hao Zhu and
Alexander Golbraikh and
Sean Ekins and
Julie Clark and
Michele C. Connelly and
Martina Sigal and
Dena Hodges and
Armand Guiguemde and
R. Kiplin Guy and
Alexander Tropsha},
title = {Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual
Screening},
journal = {J. Chem. Inf. Model.},
volume = {53},
number = {2},
pages = {475--492},
year = {2013},
url = {https://doi.org/10.1021/ci300421n},
doi = {10.1021/CI300421N},
timestamp = {Fri, 10 Nov 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/ZhangFSZGECCSHGGT13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MartinHYMGZT12,
author = {Todd Martin and
Paul Harten and
Douglas M. Young and
Eugene N. Muratov and
Alexander Golbraikh and
Hao Zhu and
Alexander Tropsha},
title = {Does Rational Selection of Training and Test Sets Improve the Outcome
of {QSAR} Modeling?},
journal = {J. Chem. Inf. Model.},
volume = {52},
number = {10},
pages = {2570--2578},
year = {2012},
url = {https://doi.org/10.1021/ci300338w},
doi = {10.1021/CI300338W},
timestamp = {Fri, 10 Nov 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/MartinHYMGZT12.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/HsiehWTGT08,
author = {Jui{-}Hua Hsieh and
Xiang S. Wang and
Denise G. Teotico and
Alexander Golbraikh and
Alexander Tropsha},
title = {Differentiation of AmpC beta-lactamase binders vs. decoys using classification
\emph{k} {NN} {QSAR} modeling and application of the {QSAR} classifier
to virtual screening},
journal = {J. Comput. Aided Mol. Des.},
volume = {22},
number = {9},
pages = {593--609},
year = {2008},
url = {https://doi.org/10.1007/s10822-008-9199-2},
doi = {10.1007/S10822-008-9199-2},
timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/HsiehWTGT08.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/WangTGT08,
author = {Xiang S. Wang and
Hao Tang and
Alexander Golbraikh and
Alexander Tropsha},
title = {Combinatorial {QSAR} Modeling of Specificity and Subtype Selectivity
of Ligands Binding to Serotonin Receptors 5HT1E and 5HT1F},
journal = {J. Chem. Inf. Model.},
volume = {48},
number = {5},
pages = {997--1013},
year = {2008},
url = {https://doi.org/10.1021/ci700404c},
doi = {10.1021/CI700404C},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/WangTGT08.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/LimaGOXT06,
author = {Patricia de Cerqueira Lima and
Alexander Golbraikh and
Scott Oloff and
Yunde Xiao and
Alexander Tropsha},
title = {Combinatorial {QSAR} Modeling of P-Glycoprotein Substrates},
journal = {J. Chem. Inf. Model.},
volume = {46},
number = {3},
pages = {1245--1254},
year = {2006},
url = {https://doi.org/10.1021/ci0504317},
doi = {10.1021/CI0504317},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/LimaGOXT06.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/ZhangGOKT06,
author = {Shuxing Zhang and
Alexander Golbraikh and
Scott Oloff and
Harold Kohn and
Alexander Tropsha},
title = {A Novel Automated Lazy Learning {QSAR} {(ALL-QSAR)} Approach: Method
Development, Applications, and Virtual Screening of Chemical Databases
Using Validated {ALL-QSAR} Models},
journal = {J. Chem. Inf. Model.},
volume = {46},
number = {5},
pages = {1984--1995},
year = {2006},
url = {https://doi.org/10.1021/ci060132x},
doi = {10.1021/CI060132X},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/ZhangGOKT06.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/Medina-FrancoGOCT05,
author = {Jos{\'{e}} L. Medina{-}Franco and
Alexander Golbraikh and
Scott Oloff and
Rafael Castillo and
Alexander Tropsha},
title = {Quantitative Structure-activity Relationship Analysis of Pyridinone
{HIV-1} Reverse Transcriptase Inhibitors using the \emph{k} Nearest
Neighbor Method and QSAR-based Database Mining},
journal = {J. Comput. Aided Mol. Des.},
volume = {19},
number = {4},
pages = {229--242},
year = {2005},
url = {https://doi.org/10.1007/s10822-005-4789-8},
doi = {10.1007/S10822-005-4789-8},
timestamp = {Tue, 21 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/Medina-FrancoGOCT05.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KovatchevaGOXZWBT04,
author = {Assia Kovatcheva and
Alexander Golbraikh and
Scott Oloff and
Yun{-}De Xiao and
Weifan Zheng and
Peter Wolschann and
Gerhard Buchbauer and
Alexander Tropsha},
title = {Combinatorial {QSAR} of Ambergris Fragrance Compounds},
journal = {J. Chem. Inf. Model.},
volume = {44},
number = {2},
pages = {582--595},
year = {2004},
url = {https://doi.org/10.1021/ci034203t},
doi = {10.1021/CI034203T},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/KovatchevaGOXZWBT04.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GolbraikhSXXLT03,
author = {Alexander Golbraikh and
Min Shen and
Zhiyan Xiao and
Yun{-}De Xiao and
Kuo{-}Hsiung Lee and
Alexander Tropsha},
title = {Rational selection of training and test sets for the development of
validated {QSAR} models},
journal = {J. Comput. Aided Mol. Des.},
volume = {17},
number = {2-4},
pages = {241--253},
year = {2003},
url = {https://doi.org/10.1023/A:1025386326946},
doi = {10.1023/A:1025386326946},
timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/GolbraikhSXXLT03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GolbraikhT03,
author = {Alexander Golbraikh and
Alexander Tropsha},
title = {{QSAR} Modeling Using Chirality Descriptors Derived from Molecular
Topology},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {43},
number = {1},
pages = {144--154},
year = {2003},
url = {https://doi.org/10.1021/ci025516b},
doi = {10.1021/CI025516B},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/GolbraikhT03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KovatchevaBGW03,
author = {Assia Kovatcheva and
Gerhard Buchbauer and
Alexander Golbraikh and
Peter Wolschann},
title = {{QSAR} Modeling of alpha-Campholenic Derivatives with Sandalwood Odor},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {43},
number = {1},
pages = {259--266},
year = {2003},
url = {https://doi.org/10.1021/ci020296n},
doi = {10.1021/CI020296N},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KovatchevaBGW03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GolbraikhT02,
author = {Alexander Golbraikh and
Alexander Tropsha},
title = {Predictive {QSAR} modeling based on diversity sampling of experimental
datasets for the training and test set selection},
journal = {J. Comput. Aided Mol. Des.},
volume = {16},
number = {5-6},
pages = {357--369},
year = {2002},
url = {https://doi.org/10.1023/A:1020869118689},
doi = {10.1023/A:1020869118689},
timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/GolbraikhT02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GolbraikhBT02,
author = {Alexander Golbraikh and
Danail Bonchev and
Alexander Tropsha},
title = {Novel ZE-Isomerism Descriptors Derived from Molecular Topology and
Their Application to {QSAR} Analysis},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {42},
number = {4},
pages = {769--787},
year = {2002},
url = {https://doi.org/10.1021/ci0103469},
doi = {10.1021/CI0103469},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/GolbraikhBT02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GolbraikhBT01,
author = {Alexander Golbraikh and
Danail Bonchev and
Alexander Tropsha},
title = {Novel Chirality Descriptors Derived from Molecular Topology},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {41},
number = {1},
pages = {147--158},
year = {2001},
url = {https://doi.org/10.1021/ci000082a},
doi = {10.1021/CI000082A},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/GolbraikhBT01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Golbraikh00,
author = {Alexander Golbraikh},
title = {Molecular Dataset Diversity Indices and Their Applications to Comparison
of Chemical Databases and {QSAR} Analysis},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {40},
number = {2},
pages = {414--425},
year = {2000},
url = {https://doi.org/10.1021/ci990437u},
doi = {10.1021/CI990437U},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/Golbraikh00.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/TarnowskaLSLGGT93,
author = {Monika Tarnowska and
Adam Liwo and
Mark D. Shenderovich and
Inta Liepina and
Alexander Golbraikh and
Zbigniew Grzonka and
Anna Tempczyk},
title = {A molecular mechanics study of the effect of substitution in position
1 on the conformational space of the oxytocin/vasopressin ring},
journal = {J. Comput. Aided Mol. Des.},
volume = {7},
number = {6},
pages = {699--720},
year = {1993},
url = {https://doi.org/10.1007/BF00125327},
doi = {10.1007/BF00125327},
timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/TarnowskaLSLGGT93.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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