Alexander Tropsha

2006
25	EE	Scott Oloff, Shuxing Zhang, Nagamani Sukumar, Curt M. Breneman, Alexander Tropsha: Chemometric Analysis of Ligand Receptor Complementarity: Identifying Complementary Ligands Based on Receptor Information (CoLiBRI). Journal of Chemical Information and Modeling 46(2): 844-851 (2006)
24	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)
2005
23	EE	Alexander Tropsha, Herbert Edelsbrunner: Session Introduction: Biogeometry: Applications of Computational Geometry to Molecular Structure. Pacific Symposium on Biocomputing 2005: 3-4
22	EE	Peter Itskowitz, Alexander Tropsha: k Nearest Neighbors QSAR Modeling as a Variational Problem: Theory and Applications. Journal of Chemical Information and Modeling 45(3): 777-785 (2005)
21	EE	Jun Huan, Deepak Bandyopadhyay, Wei Wang, Jack Snoeyink, Jan Prins, Alexander Tropsha: Comparing Graph Representations of Protein Structure for Mining Family-Specific Residue-Based Packing Motifs. Journal of Computational Biology 12(6): 657-671 (2005)
2004
20	EE	Jun Huan, Wei Wang, Anglina Washington, Jan Prins, Ruchir Shah, Alexander Tropsha: Accurate Classification of Protein Structural Families Using Coherent Subgraph Analysis. Pacific Symposium on Biocomputing 2004: 411-422
19	EE	Jun Huan, Wei Wang, Deepak Bandyopadhyay, Jack Snoeyink, Jan Prins, Alexander Tropsha: Mining protein family specific residue packing patterns from protein structure graphs. RECOMB 2004: 308-315
18	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
17		Bala Krishnamoorthy, Alexander Tropsha: Development of a four-body statistical pseudo-potential to discriminate native from non-native protein conformations. Bioinformatics 19(12): 1540-1548 (2003)
16	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)
15		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
14	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)
13	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
12	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)
11	EE	Charles H. Reynolds, Alexander Tropsha, Lori B. Pfahler, Ross Druker, Subhas Chakravorty, G. Ethiraj, Weifan Zheng: Diversity and Coverage of Structural Sublibraries Selected Using the SAGE and SCA Algorithms. Journal of Chemical Information and Computer Sciences 41(6): 1470-1477 (2001)
2000
10	EE	Dexuan Xie, Alexander Tropsha, Tamar Schlick: An Efficient Projection Protocol for Chemical Databases: Singular Value Decomposition Combined with Truncated-Newton Minimization. Journal of Chemical Information and Computer Sciences 40(1): 167-177 (2000)
9	EE	Weifan Zheng, Alexander Tropsha: Novel Variable Selection Quantitative Structure-Property Relationship Approach Based on the k-Nearest-Neighbor Principle. Journal of Chemical Information and Computer Sciences 40(1): 185-194 (2000)
1999
8	EE	Weifan Zheng, Sung Jin Cho, Chris L. Waller, Alexander Tropsha: Rational Combinatorial Library Design. 3. Simulated Annealing Guided Evaluation (SAGE) of Molecular Diversity: A Novel Computational Tool for Universal Library Design and Database Mining. Journal of Chemical Information and Computer Sciences 39(4): 738-746 (1999)
7	EE	Xin Chen, Andrew Rusinko III, Alexander Tropsha, S. Stanley Young: Automated Pharmacophore Identification for Large Chemical Data Sets1. Journal of Chemical Information and Computer Sciences 39(5): 887-896 (1999)
6	EE	Xin Chen, Alexander Tropsha: Generalized linear response method: Application to hydration free energy calculations. Journal of Computational Chemistry 20(8): 749-759 (1999)
1998
5	EE	Weifan Zheng, Sung Jin Cho, Alexander Tropsha: Rational Combinatorial Library Design. 1. Focus-2D: A New Approach to the Design of Targeted Combinatorial Chemical Libraries. Journal of Chemical Information and Computer Sciences 38(2): 251-258 (1998)
4	EE	Sung Jin Cho, Weifan Zheng, Alexander Tropsha: Rational Combinatorial Library Design. 2. Rational Design of Targeted Combinatorial Peptide Libraries Using Chemical Similarity Probe and the Inverse QSAR Approaches. Journal of Chemical Information and Computer Sciences 38(2): 259-268 (1998)
1996
3		Raj K. Singh, Alexander Tropsha, Iosif I. Vaisman: Delaunay Tessellation of Proteins: Four Body Nearest-Neighbor Propensities of Amino Acid Residues. Journal of Computational Biology 3(2): 213-222 (1996)
1995
2		D. L. Hoffman, S. Laiter, Raj K. Singh, Iosif I. Vaisman, Alexander Tropsha: Rapid protein structure classification using one-dimensional structure profiles on the bioSCAN parallel computer. Computer Applications in the Biosciences 11(6): 675-679 (1995)
1994
1		Xiannong Chen, Libero Bartolotti, Khalid Ishaq, Alexander Tropsha: Molecular Simulation of Alkyl Boronic Acids: Molecular Mechanics and Solvation Free Energy Calculations. Journal of Computational Chemistry 15(3): 333-345 (1994)

Coauthor Index

1	Deepak Bandyopadhyay	[19] [21]
2	Libero Bartolotti	[1]
3	Danail Bonchev	[12] [14]
4	Curt M. Breneman	[25]
5	Gerhard Buchbauer	[18]
6	Subhas Chakravorty	[11]
7	Xiannong Chen	[1]
8	Xin Chen	[6] [7]
9	Sung Jin Cho	[4] [5] [8]
10	Ross Druker	[11]
11	Herbert Edelsbrunner	[23]
12	G. Ethiraj	[11]
13	Alexander Golbraikh	[12] [13] [14] [15] [16] [18] [24]
14	D. L. Hoffman	[2]
15	Jun Huan	[19] [20] [21]
16	Khalid Ishaq	[1]
17	Peter Itskowitz	[22]
18	Assia Kovatcheva	[18]
19	Bala Krishnamoorthy	[17]
20	S. Laiter	[2]
21	Kuo-Hsiung Lee	[15]
22	Patricia de Cerqueira Lima	[24]
23	Scott Oloff	[18] [24] [25]
24	Lori B. Pfahler	[11]
25	Jan Prins	[19] [20] [21]
26	Charles H. Reynolds	[11]
27	Andrew Rusinko III	[7]
28	Tamar Schlick	[10]
29	Ruchir Shah	[20]
30	Min Shen	[15]
31	Raj K. Singh	[2] [3]
32	Jack Snoeyink	[19] [21]
33	Nagamani Sukumar	[25]
34	Iosif I. Vaisman	[2] [3]
35	Chris L. Waller	[8]
36	Wei Wang	[19] [20] [21]
37	Anglina Washington	[20]
38	Peter Wolschann	[18]
39	Yun-De Xiao	[15] [18]
40	Yunde Xiao	[24]
41	Zhiyan Xiao	[15]
42	Dexuan Xie	[10]
43	S. Stanley Young	[7]
44	Shuxing Zhang	[25]
45	Weifan Zheng	[4] [5] [8] [9] [11] [18]

Colors in the list of coauthors