2006 |
40 | EE | Dilip K. Sinha,
Subhash C. Basak:
Fourth Indo-U.S. Workshop on Mathematical Chemistry, January 8-12, 2005, Pune, Maharashtra, India.
Journal of Chemical Information and Modeling 46(1): 1 (2006) |
39 | EE | Milan Randic,
Frank A. Witzmann,
Varshna Kodali,
Subhash C. Basak:
On the Dependence of a Characterization of Proteomics Maps on the Number of Protein Spots Considered.
Journal of Chemical Information and Modeling 46(1): 116-122 (2006) |
38 | EE | Marjan Vracko,
Subhash C. Basak,
Kevin T. Geiss,
Frank A. Witzmann:
Proteomic Maps-Toxicity Relationship of Halocarbons Studied with Similarity Index and Genetic Algorithm.
Journal of Chemical Information and Modeling 46(1): 130-136 (2006) |
37 | EE | Subhash C. Basak,
Ramanathan Natarajan,
Denise R. Mills,
Douglas M. Hawkins,
Jessica J. Kraker:
Quantitative Structure-Activity Relationship Modeling of Juvenile Hormone Mimetic Compounds for Culex Pipiens Larvae, with a Discussion of Descriptor-Thinning Methods.
Journal of Chemical Information and Modeling 46(1): 65-77 (2006) |
36 | EE | Douglas M. Hawkins,
Subhash C. Basak,
Jessica J. Kraker,
Kevin T. Geiss,
Frank A. Witzmann:
Combining Chemodescriptors and Biodescriptors in Quantitative Structure-Activity Relationship Modeling.
Journal of Chemical Information and Modeling 46(1): 9-16 (2006) |
2003 |
35 | EE | Douglas M. Hawkins,
Subhash C. Basak,
Denise R. Mills:
Assessing Model Fit by Cross-Validation.
Journal of Chemical Information and Computer Sciences 43(2): 579-586 (2003) |
34 | EE | Subhash C. Basak,
Krishnan Balasubramanian,
Brian D. Gute,
Denise R. Mills,
Anna Gorczynska,
Szczepan Roszak:
Prediction of Cellular Toxicity of Halocarbons from Computed Chemodescriptors: A Hierarchical QSAR Approach.
Journal of Chemical Information and Computer Sciences 43(4): 1103-1109 (2003) |
2002 |
33 | EE | Milan Randic,
Subhash C. Basak:
A Comparative Study of Proteomics Maps Using Graph Theoretical Biodescriptors.
Journal of Chemical Information and Computer Sciences 42(5): 983-992 (2002) |
32 | EE | Ramanathan Natarajan,
Inderjit Nirdosh,
Subhash C. Basak,
Denise R. Mills:
QSAR Modeling of Flotation Collectors Using Principal Components Extracted from Topological Indices.
Journal of Chemical Information and Computer Sciences 42(6): 1425-1430 (2002) |
2001 |
31 | EE | Subhash C. Basak,
George W. A. Milne,
Milan Randic,
Dilip K. Sinha:
Second Indo-U.S. Workshop on Mathematical Chemistry May 30-June 3, 2000 Duluth, Minnesota.
Journal of Chemical Information and Computer Sciences 41(3): 479-479 (2001) |
30 | EE | Vellarkad N. Viswanadhan,
Geoffrey A. Mueller,
Subhash C. Basak,
John N. Weinstein:
Comparison of a Neural Net-Based QSAR Algorithm (PCANN) with Hologram- and Multiple Linear Regression-Based QSAR Approaches: Application to 1, 4-Dihydropyridine-Based Calcium Channel Antagonists.
Journal of Chemical Information and Computer Sciences 41(3): 505-511 (2001) |
29 | EE | Milan Randic,
Subhash C. Basak:
Characterization of DNA Primary Sequences Based on the Average Distances between Bases.
Journal of Chemical Information and Computer Sciences 41(3): 561-568 (2001) |
28 | EE | Milan Randic,
Alexandru T. Balaban,
Subhash C. Basak:
On Structural Interpretation of Several Distance Related Topological Indices.
Journal of Chemical Information and Computer Sciences 41(3): 593-601 (2001) |
27 | EE | Milan Randic,
Subhash C. Basak:
On Use of the Variable Connectivity Index 1f in QSAR: Toxicity of Aliphatic Ethers.
Journal of Chemical Information and Computer Sciences 41(3): 614-618 (2001) |
26 | EE | Milan Randic,
Xiaofeng Guo,
Subhash C. Basak:
On the Characterization of DNA Primary Sequences by Triplet of Nucleic Acid Bases.
Journal of Chemical Information and Computer Sciences 41(3): 619-626 (2001) |
25 | EE | Milan Randic,
Subhash C. Basak:
A New Descriptor for Structure-Property and Structure-Activity Correlations.
Journal of Chemical Information and Computer Sciences 41(3): 650-656 (2001) |
24 | EE | Douglas M. Hawkins,
Subhash C. Basak,
Xiaofang Shi:
QSAR with Few Compounds and Many Features.
Journal of Chemical Information and Computer Sciences 41(3): 663-670 (2001) |
23 | EE | Subhash C. Basak,
Denise R. Mills,
Alexandru T. Balaban,
Brian D. Gute:
Prediction of Mutagenicity of Aromatic and Heteroaromatic Amines from Structure: A Hierarchical QSAR Approach.
Journal of Chemical Information and Computer Sciences 41(3): 671-678 (2001) |
22 | EE | Alan R. Katritzky,
Ruslan Petrukhin,
Douglas B. Tatham,
Subhash C. Basak,
Emilio Benfenati,
Mati Karelson,
Uko Maran:
Interpretation of Quantitative Structure-Property and -Activity Relationships.
Journal of Chemical Information and Computer Sciences 41(3): 679-685 (2001) |
21 | EE | Subhash C. Basak,
Denise R. Mills:
Quantitative Structure-Property Relationships (QSPRs) for the Estimation of Vapor Pressure: A Hierarchical Approach Using Mathematical Structural Descriptors.
Journal of Chemical Information and Computer Sciences 41(3): 692-701 (2001) |
2000 |
20 | | David W. Opitz,
Subhash C. Basak,
G. Prabu,
Denise R. Mills:
Hazard Assessment Modeling: A Hierarchical QSAR Approach.
Artificial Intelligence and Soft Computing 2000: 112-115 |
19 | EE | Subhash C. Basak,
Brian D. Gute,
Bono Lucic,
Sonja Nikolic,
Nenad Trinajstic:
A Comparative QSAR Study of Benzamidines Complement-inhibitory Activity and Benzene Derivatives Acute Toxicity.
Computers & Chemistry 24(2): 181-191 (2000) |
18 | EE | Subhash C. Basak,
Gregory D. Grunwald,
Brian D. Gute,
Krishnan Balasubramanian,
David W. Opitz:
Use of Statistical and Neural Net Approaches in Predicting Toxicity of Chemicals.
Journal of Chemical Information and Computer Sciences 40(4): 885-890 (2000) |
17 | EE | Subhash C. Basak,
Alexandru T. Balaban,
Gregory D. Grunwald,
Brian D. Gute:
Topological Indices: Their Nature and Mutual Relatedness.
Journal of Chemical Information and Computer Sciences 40(4): 891-898 (2000) |
16 | EE | Milan Randic,
Subhash C. Basak:
Construction of High-Quality Structure-Property-Activity Regressions: The Boiling Points of Sulfides.
Journal of Chemical Information and Computer Sciences 40(4): 899-905 (2000) |
15 | EE | Ashesh Nandy,
Subhash C. Basak:
Simple Numerical Descriptor for Quantifying Effect of Toxic Substances on DNA Sequences.
Journal of Chemical Information and Computer Sciences 40(4): 915-919 (2000) |
14 | EE | Subhash C. Basak,
Sonja Nikolic,
Nenad Trinajstic,
Dragan Amic,
Drago Beslo:
QSPR Modeling: Graph Connectivity Indices versus Line Graph Connectivity Indices.
Journal of Chemical Information and Computer Sciences 40(4): 927-933 (2000) |
13 | EE | Milan Randic,
Marjan Vracko,
Ashesh Nandy,
Subhash C. Basak:
On 3-D Graphical Representation of DNA Primary Sequences and Their Numerical Characterization.
Journal of Chemical Information and Computer Sciences 40(5): 1235-1244 (2000) |
12 | EE | Alexandru T. Balaban,
Denise R. Mills,
Subhash C. Basak:
Correlation between Structure and Normal Boiling Points of Acyclic Carbonyl Compounds [J. Chem. Inf. Comput. Sci 39, 758-764 (1999)].
Journal of Chemical Information and Computer Sciences 40(6): 1477 (2000) |
1999 |
11 | EE | Subhash C. Basak,
George W. A. Milne,
Milan Randic,
Dilip K. Sinha:
First Indo-U.S. Workshop on Mathematical Chemistry with Applications in Molecular Design and Hazard Assessment of Chemicals.
Journal of Chemical Information and Computer Sciences 39(2): 179-179 (1999) |
10 | EE | Subhash C. Basak,
Brian D. Gute,
Shibnath Ghatak:
Prediction of Complement-Inhibitory Activity of Benzamidines Using Topological and Geometric Parameters.
Journal of Chemical Information and Computer Sciences 39(2): 255-260 (1999) |
9 | EE | Milan Randic,
Subhash C. Basak:
Optimal Molecular Descriptors Based on Weighted Path Numbers.
Journal of Chemical Information and Computer Sciences 39(2): 261-266 (1999) |
8 | EE | Alexandru T. Balaban,
Denise R. Mills,
Subhash C. Basak:
Correlation between Structure and Normal Boiling Points of Acyclic Carbonyl Compounds.
Journal of Chemical Information and Computer Sciences 39(4): 758-764 (1999) |
7 | EE | Alexandru T. Balaban,
Subhash C. Basak,
Denise R. Mills:
Normal Boiling Points of 1, -Alkanedinitriles: The Highest Increment in a Homologous Series.
Journal of Chemical Information and Computer Sciences 39(5): 769-774 (1999) |
1998 |
6 | EE | Krishnan Balasubramanian,
Subhash C. Basak:
Characterization of Isospectral Graphs Using Graph Invariants and Derived Orthogonal Parameters.
Journal of Chemical Information and Computer Sciences 38(3): 367-373 (1998) |
1997 |
5 | EE | Subhash C. Basak,
Brian D. Gute,
Gregory D. Grunwald:
Use of Topostructural, Topochemical, and Geometric Parameters in the Prediction of Vapor Pressure: A Hierarchical QSAR Approach.
Journal of Chemical Information and Computer Sciences 37(4): 651-655 (1997) |
1996 |
4 | EE | Subhash C. Basak,
Brian D. Gute,
Gregory D. Grunwald:
A Comparative Study of Topological and Geometrical Parameters in Estimating Normal Boiling Point and Octanol/Water Partition Coefficient.
Journal of Chemical Information and Computer Sciences 36(6): 1054-1060 (1996) |
1995 |
3 | | Subhash C. Basak,
Gregory D. Grunwald:
Molecular Similarity and Estimation of Molecular Properties.
Journal of Chemical Information and Computer Sciences 35(3): 366-372 (1995) |
1994 |
2 | EE | Subhash C. Basak,
Sharon Bertelsen,
Gregory D. Grunwald:
Application of graph theoretical parameters in quantifying molecular similarity and structure-activity relationships.
Journal of Chemical Information and Computer Sciences 34(2): 270-276 (1994) |
1 | EE | Alexandru T. Balaban,
Subhash C. Basak,
Timothy Colburn,
Gregory D. Grunwald:
Correlation between Structure and Normal Boiling Points of Haloalkanes C1-C4 Using Neural Networks.
Journal of Chemical Information and Computer Sciences 34(5): 1118-1121 (1994) |