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Roy, Kunal
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ResearcherID: B-1673-2009
URL: http://www.researcherid.com/rid/B-1673-2009
Subject: Chemistry; Pharmacology & Pharmacy
Keywords: qsar; qspr; qstr; structure activity relationships; molecular modeling and docking; qsar modeling; qsar/qspr; chemoinformatics; chemometrics; computational chemistry; pharmacoinformatics; drug design
ORCID: http://orcid.org/0000-0003-4486-8074
My Institutions (more details)
Primary Institution:
Sub-org/Dept: Pharmaceutical Technology
Role:
Joint Affiliation:
Sub-org/Dept:
Description:
My URLs: http://sites.google.com/site/kunalroyindia/
http://www.jaduniv.edu.in/profile.php?uid=550
http://scholar.google.com/citations?user=j5iRuhwAAAAJ&hl=en
 
 

This list contains papers that I have authored.

publication(s)  
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1.  Title: On some aspects of variable selection for partial least squares regression models
 Author(s): ROY, PP; ROY, K
 Source: QSAR & COMBINATORIAL SCIENCE Volume: 27 Issue: 3 Pages: 302-313 Published: MAR 2008
 Times Cited: 388
 DOI: 10.1002/qsar.200710043
added
29-Apr-10
2.  Title: On Two Novel Parameters for Validation of Predictive QSAR Models
 Author(s): ROY, PP; PAUL, S; MITRA, I; et al.
 Source: MOLECULES Volume: 14 Issue: 5 Pages: 1660-1701 Published: MAY 2009
 Times Cited: 232
 DOI: 10.3390/molecules14051660
added
29-Apr-10
3.  Title: Further exploring r(m)(2) metrics for validation of QSPR models
 Author(s): Ojha, Probir Kumar; Mitra, Indrani; Das, Rudra Narayan; et al.
 Source: Chemometrics and Intelligent Laboratory Systems Volume: 107 Issue: 1 Pages: 194-205 Published: MAY 2011
 Times Cited: 221
 DOI: 10.1016/j.chemolab.2011.03.011
added
18-Aug-11
4.  Title: Comparative Studies on Some Metrics for External Validation of QSPR Models
 Author(s): Roy, Kunal; Mitra, Indrani; Kar, Supratik; et al.
 Source: Journal of Chemical Information and Modeling Volume: 52 Issue: 2 Pages: 396-408 Published: FEB 2012
 Times Cited: 176
 DOI: 10.1021/ci200520g
added
05-Apr-12
5.  Title: On selection of training and test sets for the development of predictive QSAR models
 Author(s): LEONARD, JT; ROY, K
 Source: QSAR & COMBINATORIAL SCIENCE Volume: 25 Issue: 3 Pages: 235-251 Published: MAR 2006
 Times Cited: 132
 DOI: 10.1002/qsar.200510161
added
29-Apr-10
6.  Title: Exploring the impact of size of training sets for the development of predictive QSAR models
 Author(s): ROY, PP; LEONARD, JT; ROY, K
 Source: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS Volume: 90 Issue: 1 Pages: 31-42 Published: JAN 15 2008
 Times Cited: 129
 DOI: 10.1016/j.chemolab.2007.07.004
added
29-Apr-10
7.  Title: Exploring quantitative structure-activity relationship studies of antioxidant phenolic compounds obtained from traditional Chinese medicinal plants
 Author(s): Mitra, I; Saha, A; Roy, K
 Source: Molecular Simulation Volume: 36 Issue: 13 Pages: 1067-1079 Published: 2010
 Times Cited: 128
 DOI: 10.1080/08927022.2010.503326
added
02-Feb-11
8.  Title: On some aspects of validation of predictive quantitative structure-activity relationship models
 Author(s): ROY, K
 Source: EXPERT OPINION ON DRUG DISCOVERY Volume: 2 Issue: 12 Pages: 1567-1577 Published: DEC 2007
 Times Cited: 123
 DOI: 10.1517/17460441.2.12.1567
added
29-Apr-10
9.  Title: Some case studies on application of "rm 2" metrics for judging quality of quantitative structure-activity relationship predictions: Emphasis on scaling of response data
 Author(s): Roy, K.; Chakraborty, P.; Mitra, I.; et al.
 Source: Journal of Computational Chemistry Volume: 34 Issue: 12 Pages: 1071-1082 Published: 2013
 Times Cited: 122
 DOI: 10.1002/jcc.23231 /  Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-84875893961&partnerID=MN8TOAR ...
added
13-May-13
10.  Title: Comparative QSARs for antimalarial endochins: Importance of descriptor-thinning and noise reduction prior to feature selection
 Author(s): Ojha, Probir Kumar; Roy, Kunal
 Source: Chemometrics and Intelligent Laboratory Systems Volume: 109 Issue: 2 Pages: 146-161 Published: DEC 15 2011
 Times Cited: 78
 DOI: 10.1016/j.chemolab.2011.08.007
added
05-Apr-12
publication(s)  
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