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Alexander Tropsha: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Jun Huan, Wei Wang, Anglina Washington, Jan Prins, Ruchir Shah, Alexander Tropsha
    Accurate Classification of Protein Structural Families Using Coherent Subgraph Analysis. [Citation Graph (0, 0)][DBLP]
    Pacific Symposium on Biocomputing, 2004, pp:411-422 [Conf]
  2. Alexander Tropsha, Herbert Edelsbrunner
    Session Introduction: Biogeometry: Applications of Computational Geometry to Molecular Structure. [Citation Graph (0, 0)][DBLP]
    Pacific Symposium on Biocomputing, 2005, pp:3-4 [Conf]
  3. Jun Huan, Wei Wang, Deepak Bandyopadhyay, Jack Snoeyink, Jan Prins, Alexander Tropsha
    Mining protein family specific residue packing patterns from protein structure graphs. [Citation Graph (0, 0)][DBLP]
    RECOMB, 2004, pp:308-315 [Conf]
  4. 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. [Citation Graph (0, 0)][DBLP]
    Computer Applications in the Biosciences, 1995, v:11, n:6, pp:675-679 [Journal]
  5. Bala Krishnamoorthy, Alexander Tropsha
    Development of a four-body statistical pseudo-potential to discriminate native from non-native protein conformations. [Citation Graph (0, 0)][DBLP]
    Bioinformatics, 2003, v:19, n:12, pp:1540-1548 [Journal]
  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. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2003, v:17, n:2-4, pp:241-253 [Journal]
  7. Alexander Golbraikh, Alexander Tropsha
    Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2002, v:16, n:5-6, pp:357-369 [Journal]
  8. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Biology, 2005, v:12, n:6, pp:657-671 [Journal]
  9. Raj K. Singh, Alexander Tropsha, Iosif I. Vaisman
    Delaunay Tessellation of Proteins: Four Body Nearest-Neighbor Propensities of Amino Acid Residues. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Biology, 1996, v:3, n:2, pp:213-222 [Journal]
  10. Xiannong Chen, Libero Bartolotti, Khalid Ishaq, Alexander Tropsha
    Molecular Simulation of Alkyl Boronic Acids: Molecular Mechanics and Solvation Free Energy Calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1994, v:15, n:3, pp:333-345 [Journal]
  11. Xin Chen, Alexander Tropsha
    Generalized linear response method: Application to hydration free energy calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:8, pp:749-759 [Journal]
  12. Xin Chen, Andrew Rusinko III, Alexander Tropsha, S. Stanley Young
    Automated Pharmacophore Identification for Large Chemical Data Sets1. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1999, v:39, n:5, pp:887-896 [Journal]
  13. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1998, v:38, n:2, pp:259-268 [Journal]
  14. Alexander Golbraikh, Danail Bonchev, Alexander Tropsha
    Novel Chirality Descriptors Derived from Molecular Topology. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:1, pp:147-158 [Journal]
  15. Alexander Golbraikh, Danail Bonchev, Alexander Tropsha
    Novel ZE-Isomerism Descriptors Derived from Molecular Topology and Their Application to QSAR Analysis. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:4, pp:769-787 [Journal]
  16. Alexander Golbraikh, Alexander Tropsha
    QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:1, pp:144-154 [Journal]
  17. Peter Itskowitz, Alexander Tropsha
    k Nearest Neighbors QSAR Modeling as a Variational Problem: Theory and Applications. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:3, pp:777-785 [Journal]
  18. Assia Kovatcheva, Alexander Golbraikh, Scott Oloff, Yun-De Xiao, Weifan Zheng, Peter Wolschann, Gerhard Buchbauer, Alexander Tropsha
    Combinatorial QSAR of Ambergris Fragrance Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:582-595 [Journal]
  19. Patricia de Cerqueira Lima, Alexander Golbraikh, Scott Oloff, Yunde Xiao, Alexander Tropsha
    Combinatorial QSAR Modeling of P-Glycoprotein Substrates. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:3, pp:1245-1254 [Journal]
  20. 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). [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:2, pp:844-851 [Journal]
  21. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1470-1477 [Journal]
  22. Dexuan Xie, Alexander Tropsha, Tamar Schlick
    An Efficient Projection Protocol for Chemical Databases: Singular Value Decomposition Combined with Truncated-Newton Minimization. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:1, pp:167-177 [Journal]
  23. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1998, v:38, n:2, pp:251-258 [Journal]
  24. 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. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 1999, v:39, n:4, pp:738-746 [Journal]
  25. Weifan Zheng, Alexander Tropsha
    Novel Variable Selection Quantitative Structure-Property Relationship Approach Based on the k-Nearest-Neighbor Principle. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:1, pp:185-194 [Journal]

  26. Functional Neighbors: Inferring Relationships between Non-Homologous Protein Families Using Family-Specific Packing Motifs. [Citation Graph (, )][DBLP]


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