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Viewing Publication 1 - 48 from 48

2021

Identification and computational analysis of mutations in SARS-CoV-2Tathagata Dey, Shreyans Chatterjee, Smarajit Manna, Ashesh Nandy, Subhash C. Basak. cbm, 129:104166, 2021. [doi]

2017

A Bioinformatics approach to designing a Zika virus vaccineSumanta Dey, Ashesh Nandy, Subhash C. Basak, Papiya Nandy, Sukhen Das. CANDC, 68:143-152, 2017. [doi]

2009

Computational Study of Dispersion and Extent of Mutated and Duplicated Sequences of the H5N1 Influenza Neuraminidase over the Period 1997-2008Ambarnil Ghosh, Ashesh Nandy, Papiya Nandy, Brian D. Gute, Subhash C. Basak. jcisd, 49(11):2627-2638, 2009. [doi]

2008

Predicting allergic contact dermatitis: a hierarchical structure-activity relationship (SAR) approach to chemical classification using topological and quantum chemical descriptorsSubhash C. Basak, Denise R. Mills, Douglas M. Hawkins. jcamd, 22(6-7):339-343, 2008. [doi]

2007

Graphical Representation and Numerical Characterization of H5N1 Avian Flu Neuraminidase Gene SequenceAshesh Nandy, Subhash C. Basak, Brian D. Gute. jcisd, 47(3):945-951, 2007. [doi]

Novel Approach for the Numerical Characterization of Molecular ChiralityRamanathan Natarajan, Subhash C. Basak, Terrence S. Neumann. jcisd, 47(3):771-775, 2007. [doi]

2006

Quantitative Structure-Activity Relationship Modeling of Juvenile Hormone Mimetic Compounds for ::::Culex ::::::::P::::::::ipiens:::: Larvae, with a Discussion of Descriptor-Thinning MethodsSubhash C. Basak, Ramanathan Natarajan, Denise R. Mills, Douglas M. Hawkins, Jessica J. Kraker. jcisd, 46(1):65-77, 2006. [doi]

Combining Chemodescriptors and Biodescriptors in Quantitative Structure-Activity Relationship ModelingDouglas M. Hawkins, Subhash C. Basak, Jessica J. Kraker, Kevin T. Geiss, Frank A. Witzmann. jcisd, 46(1):9-16, 2006. [doi]

On the Dependence of a Characterization of Proteomics Maps on the Number of Protein Spots ConsideredMilan Randic, Frank A. Witzmann, Varshna Kodali, Subhash C. Basak. jcisd, 46(1):116-122, 2006. [doi]

Fourth Indo-U.S. Workshop on Mathematical Chemistry, January 8-12, 2005, Pune, Maharashtra, IndiaDilip K. Sinha, Subhash C. Basak. jcisd, 46(1):1, 2006. [doi]

Proteomic Maps-Toxicity Relationship of Halocarbons Studied with Similarity Index and Genetic AlgorithmMarjan Vracko, Subhash C. Basak, Kevin T. Geiss, Frank A. Witzmann. jcisd, 46(1):130-136, 2006. [doi]

2003

Prediction of Cellular Toxicity of Halocarbons from Computed Chemodescriptors: A Hierarchical QSAR ApproachSubhash C. Basak, Krishnan Balasubramanian, Brian D. Gute, Denise R. Mills, Anna Gorczynska, Szczepan Roszak. jcisd, 43(4):1103-1109, 2003. [doi]

Assessing Model Fit by Cross-ValidationDouglas M. Hawkins, Subhash C. Basak, Denise R. Mills. jcisd, 43(2):579-586, 2003. [doi]

2002

QSAR Modeling of Flotation Collectors Using Principal Components Extracted from Topological IndicesRamanathan Natarajan, Inderjit Nirdosh, Subhash C. Basak, Denise R. Mills. jcisd, 42(6):1425-1430, 2002. [doi]

A Comparative Study of Proteomics Maps Using Graph Theoretical BiodescriptorsMilan Randic, Subhash C. Basak. jcisd, 42(5):983-992, 2002. [doi]

2001

Quantitative Structure-Property Relationships (QSPRs) for the Estimation of Vapor Pressure: A Hierarchical Approach Using Mathematical Structural DescriptorsSubhash C. Basak, Denise R. Mills. jcisd, 41(3):692-701, 2001. [doi]

Prediction of Mutagenicity of Aromatic and Heteroaromatic Amines from Structure: A Hierarchical QSAR ApproachSubhash C. Basak, Denise R. Mills, Alexandru T. Balaban, Brian D. Gute. jcisd, 41(3):671-678, 2001. [doi]

Second Indo-U.S. Workshop on Mathematical Chemistry May 30-June 3, 2000 Duluth, MinnesotaSubhash C. Basak, George W. A. Milne, Milan Randic, Dilip K. Sinha. jcisd, 41(3):479-479, 2001. [doi]

QSAR with Few Compounds and Many FeaturesDouglas M. Hawkins, Subhash C. Basak, Xiaofang Shi. jcisd, 41(3):663-670, 2001. [doi]

Interpretation of Quantitative Structure-Property and -Activity RelationshipsAlan R. Katritzky, Ruslan Petrukhin, Douglas B. Tatham, Subhash C. Basak, Emilio Benfenati, Mati Karelson, Uko Maran. jcisd, 41(3):679-685, 2001. [doi]

On Structural Interpretation of Several Distance Related Topological IndicesMilan Randic, Alexandru T. Balaban, Subhash C. Basak. jcisd, 41(3):593-601, 2001. [doi]

Characterization of DNA Primary Sequences Based on the Average Distances between BasesMilan Randic, Subhash C. Basak. jcisd, 41(3):561-568, 2001. [doi]

A New Descriptor for Structure-Property and Structure-Activity CorrelationsMilan Randic, Subhash C. Basak. jcisd, 41(3):650-656, 2001. [doi]

On Use of the Variable Connectivity Index 1f in QSAR: Toxicity of Aliphatic EthersMilan Randic, Subhash C. Basak. jcisd, 41(3):614-618, 2001. [doi]

On the Characterization of DNA Primary Sequences by Triplet of Nucleic Acid BasesMilan Randic, Xiaofeng Guo, Subhash C. Basak. jcisd, 41(3):619-626, 2001. [doi]

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 AntagonistsVellarkad N. Viswanadhan, Geoffrey A. Mueller, Subhash C. Basak, John N. Weinstein. jcisd, 41(3):505-511, 2001. [doi]

2000

Correlation between Structure and Normal Boiling Points of Acyclic Carbonyl Compounds [J. Chem. Inf. Comput. Sci 39, 758-764 (1999)]Alexandru T. Balaban, Denise R. Mills, Subhash C. Basak. jcisd, 40(6):1477, 2000. [doi]

QSPR Modeling: Graph Connectivity Indices versus Line Graph Connectivity IndicesSubhash C. Basak, Sonja Nikolic, Nenad Trinajstic, Dragan Amic, Drago Beslo. jcisd, 40(4):927-933, 2000. [doi]

A Comparative QSAR Study of Benzamidines Complement-inhibitory Activity and Benzene Derivatives Acute ToxicitySubhash C. Basak, Brian D. Gute, Bono Lucic, Sonja Nikolic, Nenad Trinajstic. CANDC, 24(2):181-191, 2000. [doi]

Topological Indices: Their Nature and Mutual RelatednessSubhash C. Basak, Alexandru T. Balaban, Gregory D. Grunwald, Brian D. Gute. jcisd, 40(4):891-898, 2000. [doi]

Use of Statistical and Neural Net Approaches in Predicting Toxicity of ChemicalsSubhash C. Basak, Gregory D. Grunwald, Brian D. Gute, Krishnan Balasubramanian, David W. Opitz. jcisd, 40(4):885-890, 2000. [doi]

Simple Numerical Descriptor for Quantifying Effect of Toxic Substances on DNA SequencesAshesh Nandy, Subhash C. Basak. jcisd, 40(4):915-919, 2000. [doi]

Hazard Assessment Modeling: A Hierarchical QSAR ApproachDavid W. Opitz, Subhash C. Basak, G. Prabu, Denise R. Mills. asc 2000: 112-115

On 3-D Graphical Representation of DNA Primary Sequences and Their Numerical CharacterizationMilan Randic, Marjan Vracko, Ashesh Nandy, Subhash C. Basak. jcisd, 40(5):1235-1244, 2000. [doi]

Construction of High-Quality Structure-Property-Activity Regressions: The Boiling Points of SulfidesMilan Randic, Subhash C. Basak. jcisd, 40(4):899-905, 2000. [doi]

1999

Correlation between Structure and Normal Boiling Points of Acyclic Carbonyl CompoundsAlexandru T. Balaban, Denise R. Mills, Subhash C. Basak. jcisd, 39(4):758-764, 1999. [doi]

Normal Boiling Points of 1, -Alkanedinitriles: The Highest Increment in a Homologous SeriesAlexandru T. Balaban, Subhash C. Basak, Denise R. Mills. jcisd, 39(5):769-774, 1999. [doi]

Prediction of Complement-Inhibitory Activity of Benzamidines Using Topological and Geometric ParametersSubhash C. Basak, Brian D. Gute, Shibnath Ghatak. jcisd, 39(2):255-260, 1999. [doi]

First Indo-U.S. Workshop on Mathematical Chemistry with Applications in Molecular Design and Hazard Assessment of ChemicalsSubhash C. Basak, George W. A. Milne, Milan Randic, Dilip K. Sinha. jcisd, 39(2):179-179, 1999. [doi]

Optimal Molecular Descriptors Based on Weighted Path NumbersMilan Randic, Subhash C. Basak. jcisd, 39(2):261-266, 1999. [doi]

1998

Characterization of Isospectral Graphs Using Graph Invariants and Derived Orthogonal ParametersKrishnan Balasubramanian, Subhash C. Basak. jcisd, 38(3):367-373, 1998. [doi]

Use of graph invariants in QMSA and predictive toxicologySubhash C. Basak, Brian D. Gute. dimacs 2000: 9-24

1997

Use of Topostructural, Topochemical, and Geometric Parameters in the Prediction of Vapor Pressure: A Hierarchical QSAR ApproachSubhash C. Basak, Brian D. Gute, Gregory D. Grunwald. jcisd, 37(4):651-655, 1997. [doi]

1996

A Comparative Study of Topological and Geometrical Parameters in Estimating Normal Boiling Point and Octanol/Water Partition CoefficientSubhash C. Basak, Brian D. Gute, Gregory D. Grunwald. jcisd, 36(6):1054-1060, 1996. [doi]

1995

Molecular Similarity and Estimation of Molecular PropertiesSubhash C. Basak, Gregory D. Grunwald. jcisd, 35(3):366-372, 1995.

1994

Correlation between Structure and Normal Boiling Points of Haloalkanes C1-C4 Using Neural NetworksAlexandru T. Balaban, Subhash C. Basak, Timothy Colburn, Gregory D. Grunwald. jcisd, 34(5):1118-1121, 1994. [doi]

Application of graph theoretical parameters in quantifying molecular similarity and structure-activity relationshipsSubhash C. Basak, Sharon Bertelsen, Gregory D. Grunwald. jcisd, 34(2):270-276, 1994. [doi]

1988

Determining structural similarity of chemicals using graph-theoretic indicesSubhash C. Basak, V. R. Magnuson, G. J. Niemi, R. R. Regal. DAM, 19(1-3):17-44, 1988. [doi]

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