KUNAL ROY

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Supratik KarAssistant Professor, Dept. of Chemistry, Kean University, New Jersey, USAVerified email at kean.edu
Rudra Narayan DasSenior Research Fellow (CSIR), Jadavpur University, Kolkata (INDIA)Verified email at research.jdvu.ac.in
Dr. Pravin AmbureCo-founder and Researcher at MultiTargetAI (Former MSCA-IF fellow)Verified email at multitargetai.com
Dr.Partha Pratim RoyGuru Ghasidas UniversityVerified email at ggu.ac.in
Jerzy LeszczynskiProfessor of Chemistry and President's Distinguished Fellow, Jackson State UniversityVerified email at icnanotox.org
Kabiruddin KhanConventional Research Transformer......Verified email at ug.edu.pl
Vinay KumarResearch Associate (RA)-ICMR, DTC Lab, Jadavpur University, IndiaVerified email at jadavpuruniversity.in
supratim rayProfessorVerified email at aus.ac.in
Paul PopelierProfessor of Chemical Theory and ComputationVerified email at manchester.ac.uk
Agnieszka Gajewicz-SkretnaAssistant Professor, University of GdanskVerified email at ug.edu.pl
Hans SandersonSenior ScientistVerified email at dmu.dk
Joyita RoyPhD Research Fellow, Jadavpur UniversityVerified email at jadavpuruniversity.in
Tomasz PuzynUniversity of Gdansk, Faculty of Chemistry / Uniwersytet Gdański, Wydział ChemiiVerified email at ug.edu.pl
Diego BadernaIstituto di Ricerche Farmacologiche Mario Negri IRCCSVerified email at marionegri.it
Sagar BhayyeAssistant Professor, Rajiv Gandhi Institute of Information Technology & Bio-Technology, BharatiVerified email at bharatividyapeeth.edu
Naznin A. BegumAssistant professor of Visva Bharati UniversityVerified email at visva-bharati.ac.in
Goutam Brahmachari, PhD, DSc, FRSCProfessor of Chemistry, Visva-Bharati University, Santiniketan, WB, IndiaVerified email at visva-bharati.ac.in

KUNAL ROY

Professor, Jadavpur University, DTC Laboratory, Dept. Pharmaceutical Technology, India

Verified email at jadavpuruniversity.in - Homepage

QSAR q-RASAR Drug Design Ecotoxicological modeling Cheminformatics


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On some aspects of variable selection for partial least squares regression models PP Roy, K Roy QSAR & Combinatorial Science 27 (3), 302-313, 2008	883	2008
On a simple approach for determining applicability domain of QSAR models K Roy, S Kar, P Ambure Chemometrics and Intelligent Laboratory Systems 145, 22-29, 2015	642	2015
On two novel parameters for validation of predictive QSAR models P Pratim Roy, S Paul, I Mitra, K Roy Molecules 14 (5), 1660-1701, 2009	638	2009
Be aware of error measures. Further studies on validation of predictive QSAR models K Roy, RN Das, P Ambure, RB Aher Chemometrics and Intelligent Laboratory Systems 152, 18-33, 2016	628	2016
Understanding the basics of QSAR for applications in pharmaceutical sciences and risk assessment K Roy, S Kar, RN Das Academic press, 2015	598	2015
Further exploring rm2 metrics for validation of QSPR models PK Ojha, I Mitra, RN Das, K Roy Chemometrics and Intelligent Laboratory Systems 107 (1), 194-205, 2011	561	2011
Comparative studies on some metrics for external validation of QSPR models K Roy, I Mitra, S Kar, PK Ojha, RN Das, H Kabir Journal of chemical information and modeling 52 (2), 396-408, 2012	484	2012
Some case studies on application of “r_m²” metrics for judging quality of quantitative structure–activity relationship predictions: Emphasis on scaling of response … K Roy, P Chakraborty, I Mitra, PK Ojha, S Kar, RN Das Journal of computational chemistry 34 (12), 1071-1082, 2013	413	2013
A primer on QSAR/QSPR modeling: fundamental concepts K Roy, S Kar, RN Das Springer, 2015	399	2015
On some aspects of validation of predictive quantitative structure–activity relationship models K Roy Expert Opinion on Drug Discovery 2 (12), 1567-1577, 2007	344	2007
Exploring the impact of size of training sets for the development of predictive QSAR models PP Roy, JT Leonard, K Roy Chemometrics and Intelligent Laboratory Systems 90 (1), 31-42, 2008	327	2008
Exploring quantitative structure–activity relationship studies of antioxidant phenolic compounds obtained from traditional Chinese medicinal plants I Mitra, A Saha, K Roy Molecular Simulation 36 (13), 1067-1079, 2010	306	2010
On various metrics used for validation of predictive QSAR models with applications in virtual screening and focused library design K Roy, I Mitra Combinatorial chemistry & high throughput screening 14 (6), 450-474, 2011	293	2011
On selection of training and test sets for the development of predictive QSAR models JT Leonard, K Roy QSAR & Combinatorial Science 25 (3), 235-251, 2006	272	2006
Comparative QSARs for antimalarial endochins: Importance of descriptor-thinning and noise reduction prior to feature selection PK Ojha, K Roy Chemometrics and Intelligent Laboratory Systems 109 (2), 146-161, 2011	240	2011
Green chemistry in the synthesis of pharmaceuticals S Kar, H Sanderson, K Roy, E Benfenati, J Leszczynski Chemical Reviews 122 (3), 3637-3710, 2021	191	2021
“NanoBRIDGES” software: open access tools to perform QSAR and nano-QSAR modeling P Ambure, RB Aher, A Gajewicz, T Puzyn, K Roy Chemometrics and Intelligent Laboratory Systems 147, 1-13, 2015	175	2015
Statistical methods in QSAR/QSPR K Roy, S Kar, RN Das, K Roy, S Kar, RN Das A Primer on QSAR/QSPR Modeling: Fundamental Concepts, 37-59, 2015	160	2015
Advances in QSPR/QSTR models of ionic liquids for the design of greener solvents of the future RN Das, K Roy Molecular diversity 17, 151-196, 2013	151	2013
Comparative chemometric modeling of cytochrome 3A4 inhibitory activity of structurally diverse compounds using stepwise MLR, FA-MLR, PLS, GFA, G/PLS and ANN techniques K Roy, PP Roy European journal of medicinal chemistry 44 (7), 2913-2922, 2009	151	2009

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