2006 |
10 | EE | Patricia de Cerqueira Lima,
Alexander Golbraikh,
Scott Oloff,
Yunde Xiao,
Alexander Tropsha:
Combinatorial QSAR Modeling of P-Glycoprotein Substrates.
Journal of Chemical Information and Modeling 46(3): 1245-1254 (2006) |
2004 |
9 | EE | Assia Kovatcheva,
Alexander Golbraikh,
Scott Oloff,
Yun-De Xiao,
Weifan Zheng,
Peter Wolschann,
Gerhard Buchbauer,
Alexander Tropsha:
Combinatorial QSAR of Ambergris Fragrance Compounds.
Journal of Chemical Information and Modeling 44(2): 582-595 (2004) |
2003 |
8 | EE | Alexander Golbraikh,
Alexander Tropsha:
QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology.
Journal of Chemical Information and Computer Sciences 43(1): 144-154 (2003) |
7 | EE | Assia Kovatcheva,
Gerhard Buchbauer,
Alexander Golbraikh,
Peter Wolschann:
QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor.
Journal of Chemical Information and Computer Sciences 43(1): 259-266 (2003) |
6 | | 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.
Journal of Computer-Aided Molecular Design 17(2-4): 241-253 (2003) |
2002 |
5 | EE | Alexander Golbraikh,
Danail Bonchev,
Alexander Tropsha:
Novel ZE-Isomerism Descriptors Derived from Molecular Topology and Their Application to QSAR Analysis.
Journal of Chemical Information and Computer Sciences 42(4): 769-787 (2002) |
4 | EE | Alexander Golbraikh,
Alexander Tropsha:
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection.
Journal of Computer-Aided Molecular Design 16(5-6): 357-369 (2002) |
2001 |
3 | EE | Alexander Golbraikh,
Danail Bonchev,
Alexander Tropsha:
Novel Chirality Descriptors Derived from Molecular Topology.
Journal of Chemical Information and Computer Sciences 41(1): 147-158 (2001) |
2000 |
2 | EE | Alexander Golbraikh:
Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR Analysis.
Journal of Chemical Information and Computer Sciences 40(2): 414-425 (2000) |
1993 |
1 | | 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.
Journal of Computer-Aided Molecular Design 7(6): 699-720 (1993) |