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1

Predicting properties of molecules using graph invariants

Subhash C. Basak, Gerald J. Niemi, Gilman D. Veith

Journal:

Journal of Mathematical Chemistry

Year:

1991

Language:

english

File:

PDF, 1.85 MB

english, 1991

2

Statistical and Machine Learning Approaches for Network Analysis (Dehmer/Machine Learning for Network Analysis) || Frontmatter

Dehmer, Matthias, Basak, Subhash C.

Year:

2012

Language:

english

File:

PDF, 67 KB

english, 2012

3

Editorial (Recent Developments and Future Directions at Current Computer Aided Drug Design)

C. Basak, Subhash

Journal:

Current Computer - Aided Drug Design

Year:

2013

Language:

english

File:

PDF, 121 KB

english, 2013

4

Characterization of Dihydrofolate Reductases from Multiple Strains of Plasmodium falciparum Using Mathematical Descriptors of Their Inhibitors

Subhash C. Basak, Denise Mills, Douglas M. Hawkins

Journal:

Chemistry & Biodiversity

Year:

2011

Language:

english

File:

PDF, 189 KB

english, 2011

5

Role of mathematical chemodescriptors and proteomics-based biodescriptors in drug discovery

Subhash C. Basak

Journal:

Drug Development Research

Year:

2011

Language:

english

File:

PDF, 134 KB

english, 2011

6

Optimal characterization of structure for prediction of properties

Subhash C. Basak, Gerald J. Niemi, Gilman D. Veith

Journal:

Journal of Mathematical Chemistry

Year:

1990

Language:

english

File:

PDF, 1.72 MB

english, 1990

7

Molecular similarity-based estimation of properties: a comparison of three structure spaces

Brian D Gute, Subhash C Basak

Journal:

Journal of Molecular Graphics and Modelling

Year:

2001

Language:

english

File:

PDF, 555 KB

english, 2001

8

Prediction of octanol/water partition coefficient (KOW) with algorithmically derived variables

Gerald J. Niemi, Subhash C. Basak, Greg Grunwald, Gilman D. Veith

Journal:

Environmental Toxicology and Chemistry

Year:

1992

Language:

english

File:

PDF, 552 KB

english, 1992

9

Application of graph theoretical parameters in quantifying molecular similarity and structure-activity relationships

Basak, Subhash C., Bertelsen, Sharon, Grunwald, Gregory D.

Journal:

Journal of Chemical Information and Modeling

Year:

1994

Language:

english

File:

PDF, 712 KB

english, 1994

10

Molecular Similarity and Estimation of Molecular Properties

Basak, Subhash C., Grunwald, Gregory D.

Journal:

Journal of Chemical Information and Modeling

Year:

1995

Language:

english

File:

PDF, 677 KB

english, 1995

11

Statistical and Machine Learning Approaches for Network Analysis (Dehmer/Machine Learning for Network Analysis) || Introduction to Complex Networks: Measures, Statistical Properties, and Models

Dehmer, Matthias, Basak, Subhash C.

Year:

2012

Language:

english

File:

PDF, 272 KB

english, 2012

12

Variable Connectivity Index as a Tool for Modeling Structure-Property Relationships

Randić, Milan, Pompe, Matevž, Mills, Denise, Basak, Subhash

Journal:

Year:

2004

Language:

english

File:

PDF, 245 KB

english, 2004

13

Editorial: The Concepts of Pharmacophore/Toxicophores: A Philosophical/Mathematical- cum-Historical Perspective

Kier, Lemont B., Basak, Subhash C.

Journal:

Current Computer - Aided Drug Design

Year:

2018

Language:

english

File:

PDF, 221 KB

english, 2018

14

Current Opioid Overdose Crisis: Some Comments on the Chemicobiological Aspects of Tolerance/Dependence and Abuse Based on Computatinal Chemistry and Biology

Basak, Subhash C., Kier, Lemont B.

Journal:

Current Computer - Aided Drug Design

Year:

2018

Language:

english

File:

PDF, 97 KB

english, 2018

15

Editorial (Hot Topic: Topological and Electrotopological Descriptors of Molecules: Fundamental Principles and Applications to Computer Aided Molecular Design – Part II)

C. Basak, Subhash, Restrepo, Guillermo

Journal:

Current Computer - Aided Drug Design

Year:

2012

Language:

english

File:

PDF, 91 KB

english, 2012

16

Editorial: Computer-Assisted Approaches as Decision Support Systems in the Overall Strategy of Combating Emerging Diseases: Some Comments Regarding Drug Design, Vaccinomics, and Genomic Surveillance of the Zika Virus

Basak, Subhash, Nandy, Ashesh

Journal:

Current Computer - Aided Drug Design

Year:

2016

Language:

english

File:

PDF, 692 KB

english, 2016

17

Editor’s Perspective: Molecular Descriptor Landscape in the Twenty First Century and its Proper Use for Computer-Aided Drug Design

Basak, Subhash C.

Journal:

Current Computer - Aided Drug Design

Year:

2018

Language:

english

File:

PDF, 93 KB

english, 2018

18

Editorial [Hot topic: Chemo-Bioinformatics Based Mathematical Descriptors and their Applications in Computational Drug Design (Guest Editor: Subhash C. Basak)]

C. Basak, Subhash

Journal:

Current Computer - Aided Drug Design

Year:

2010

Language:

english

File:

PDF, 35 KB

english, 2010

19

Parsimony Principle and its Proper use/ Application in Computer-assisted Drug Design and QSAR

Basak, Subhash C., Vracko, Marjan G.

Journal:

Current Computer - Aided Drug Design

Year:

2020

File:

PDF, 445 KB

2020

20

A Generic Computer-Assisted Four-Pronged Approach for the Management of Emerging Global Pathogens: Some Comments on COVID-19

Basak, Subhash C., Majumdar, Subhabrata, Vracko, Marjan, Nandy, Ashesh, Bhattacharjee, Apurba

Journal:

Current Computer - Aided Drug Design

Year:

2020

Language:

english

File:

PDF, 673 KB

english, 2020

21

On characterization of physical properties of amino acids

Milan Randić, Denise Mills, Subhash C. Basak

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 200 KB

english, 2000

22

Quantitative Structure–Activity Relationship (QSAR) Modeling of Human Blood : Air Partitioning with Proper Statistical Methods and Validation

Subhash C. Basak, Denise Mills, Douglas M. Hawkins, Jessica J. Kraker

Journal:

Chemistry & Biodiversity

Year:

2009

Language:

english

File:

PDF, 152 KB

english, 2009

23

ChemInform Abstract: Prediction of Complement-Inhibitory Activity of Benzamidines Using Topological and Geometric Parameters.

Subhash C. Basak, Brian D. Gute, Shibnath Ghatak

Journal:

Year:

1999

File:

PDF, 24 KB

1999

24

ChemInform Abstract: Correlation Between Structure and Normal Boiling Points of Acyclic Carbonyl Compounds.

Alexandru T. Balaban, Denise Mills, Subhash C. Basak

Journal:

Year:

1999

File:

PDF, 24 KB

1999

25

ChemInform Abstract: Normal Boiling Points of 1,ω-Alkanedinitriles: The Highest Increment in a Homologous Series.

Alexandru T. Balaban, Subhash Basak, Denise Mills

Journal:

Year:

1999

File:

PDF, 27 KB

1999

26

ChemInform Abstract: Use of Statistical and Neutral Net Approaches in Predicting Toxicity of Chemicals.

Subhash C. Basak, Gregory D. Grunwald, Brian D. Gute, Krishnan Balasubramanian, David Opitz

Journal:

Year:

2000

File:

PDF, 24 KB

2000

27

ChemInform Abstract: Interpretation of Quantitative Structure—Property and —Activity Relationships.

Alan R. Katritzky, Ruslan Petrukhin, Douglas Tatham, Subhash Basak, Emilio Benfenati, Mati Karelson, Uko Maran

Journal:

Year:

2001

File:

PDF, 25 KB

2001

28

ChemInform Abstract: A New Descriptor for Structure—Property and Structure—Activity Correlations.

Milan Randic, Subhash C. Basak

Journal:

Year:

2001

File:

PDF, 24 KB

2001

29

ChemInform Abstract: Prediction of Mutagenicity of Aromatic and Heteroaromatic Amines from Structure: A Hierarchical QSAR Approach.

Subhash C. Basak, Denise R. Mills, Alexandru T. Balaban, Brian D. Gute

Journal:

Year:

2001

File:

PDF, 25 KB

2001

30

ChemInform Abstract: 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.

Vellarkad N. Viswanadhan, Geoffrey A. Mueller, Subhash C. Basak, John N. Weinstein

Journal:

Year:

2001

File:

PDF, 27 KB

2001

31

ChemInform Abstract: Characterization of DNA Primary Sequences by Triplet of Nucleic Acid Bases.

Milan Randic, Xiaofeng Guo, Subhash C. Basak

Journal:

Year:

2001

File:

PDF, 25 KB

2001

32

ChemInform Abstract: Use of the Variable Connectivity Index 1χf in QSAR: Toxicity of Aliphatic Ethers.

Milan Randic, Subhash C. Basak

Journal:

Year:

2001

File:

PDF, 32 KB

2001

33

ChemInform Abstract: Characterization of DNA Primary Sequences Based on the Average Distances Between Bases.

Milan Randic, Subhash C. Basak

Journal:

Year:

2001

File:

PDF, 24 KB

2001

34

ChemInform Abstract: Active Site Mapping of Porcine Liver Esterase (PLE) and Porcine Pancreatic Lipase (PPL): Stereo and Regiochemical Outcome of Hydrolysis of Conformationally Constrained Esters.

Amit Basak, Kakali Rani Rudra, Subhash Chandra Ghosh, Gautam Bhattacharya

Journal:

Year:

2002

File:

PDF, 30 KB

2002

35

An Asymmetric Synthesis of β-Lactams: The Use of Chiral Oxazolidones in the Kinugasa Reaction.

Amit Basak, Subhash C. Ghosh, Tandra Bhowmick, Amit K. Das, Valerio Bertolasi

Journal:

Year:

2002

File:

PDF, 30 KB

2002

36

Prediction of Cellular Toxicity of Halocarbons from Computed Chemodescriptors: A Hierarchical QSAR Approach.

Subhash C. Basak, Balasubramanian Krishnan Balasubramanian Krishnan, Brian D. Gute, Denise Mills, Anna Gorczynska, Szczepan Roszak

Journal:

Year:

2003

File:

PDF, 52 KB

2003

37

L-Proline-Mediated One-Pot Synthesis of 3-Exomethylene β-Lactams via Kinugasa Reaction.

Amit Basak, Subhash Chandra Ghosh

Journal:

Year:

2004

File:

PDF, 15 KB

2004

38

A comparative study of molecular similarity, statistical, and neural methods for predicting toxic modes of action

Subhash C. Basak, Gregory D. Grunwald, George E. Host, Gerald J. Niemi, Steven P. Bradbury

Journal:

Environmental Toxicology and Chemistry

Year:

1998

Language:

english

File:

PDF, 73 KB

english, 1998

39

A characterization of molecular similarity methods for property prediction

Mark Johnson, Subhash Basak, Gerald Maggiora

Journal:

Mathematical and Computer Modelling

Year:

1988

Language:

english

File:

PDF, 487 KB

english, 1988

40

A graph-theoretic approach to predicting molecular properties

Subhash C. Basak, Gerald J. Niemi, Gilman D. Veith

Journal:

Mathematical and Computer Modelling

Year:

1990

Language:

english

File:

PDF, 568 KB

english, 1990

41

Similarity study of proteomic maps

Marjan Vracko, Subhash C. Basak

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2004

Language:

english

File:

PDF, 255 KB

english, 2004

42

Quantitative Structure–Activity Relationship (QSAR) modeling of juvenile hormone activity: Comparison of validation procedures

Jessica J. Kraker, Douglas M. Hawkins, Subhash C. Basak, Ramanathan Natarajan, Denise Mills

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2007

Language:

english

File:

PDF, 276 KB

english, 2007

43

Four-color map representation of DNA or RNA sequences and their numerical characterization

Milan Randić, Nella Lerš, Dejan Plavšić, Subhash C. Basak, Alexandru T. Balaban

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 116 KB

english, 2005

44

Intramolecular 1,3-dipolar nitrone cycloaddition route to bicyclic fused enediyne

Amit Basak, Subhash C. Ghosh

Journal:

Tetrahedron Letters

Year:

2005

Language:

english

File:

PDF, 223 KB

english, 2005

45

A novel 2-D graphical representation of DNA sequences of low degeneracy

Xiaofeng Guo, Milan Randic, Subhash C. Basak

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 105 KB

english, 2001

46

An asymmetric synthesis of β-lactams: on the use of chiral oxazolidones in the Kinugasa reaction

Amit Basak, Subhash Chandra Ghosh, Tandra Bhowmich, Amit K Das, Valerio Bertolasi

Journal:

Tetrahedron Letters

Year:

2002

Language:

english

File:

PDF, 194 KB

english, 2002

47

A comparative QSAR study of benzamidines complement–inhibitory activity and benzene derivatives acute toxicity

Subhash C. Basak, Brian D. Gute, Bono Lučić, Sonja Nikolić, Nenad Trinajstić

Journal:

Computers & Chemistry

Year:

2000

Language:

english

File:

PDF, 135 KB

english, 2000

48

Quantitative molecular similarity methods in the property/toxicity estimation of chemicals: a comparison of arbitrary versus tailored similarity spaces

Subhash C Basak, Brian D Gute, Denise Mills, Douglas M Hawkins

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 278 KB

english, 2003

49

Novel map descriptors for characterization of toxic effects in proteomics maps

Željko Bajzer, Milan Randić, Dejan Plavšić, Subhash C Basak

Journal:

Journal of Molecular Graphics and Modelling

Year:

2003

Language:

english

File:

PDF, 222 KB

english, 2003

50

Chirality index, molecular overlay and biological activity of diastereoisomeric mosquito repellents

Ramanathan Natarajan, Subhash C Basak, Alexandru T Balaban, Jerome A Klun, Walter F Schmidt

Journal:

Pest Management Science

Year:

2005

Language:

english

File:

PDF, 294 KB

english, 2005