Stebėti
KUNAL ROY
KUNAL ROY
Professor, Jadavpur University, DTC Laboratory, Dept. Pharmaceutical Technology, India
Patvirtintas el. paštas jadavpuruniversity.in - Pagrindinis puslapis
Pavadinimas
Cituota
Cituota
Metai
On some aspects of variable selection for partial least squares regression models
PP Roy, K Roy
QSAR & Combinatorial Science 27 (3), 302-313, 2008
8852008
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
6462015
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
6392009
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
6322016
Understanding the basics of QSAR for applications in pharmaceutical sciences and risk assessment
K Roy, S Kar, RN Das
Academic press, 2015
6032015
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
5642011
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
4852012
Some case studies on application of “rm2” 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
4152013
A primer on QSAR/QSPR modeling: fundamental concepts
K Roy, S Kar, RN Das
Springer, 2015
4012015
On some aspects of validation of predictive quantitative structure–activity relationship models
K Roy
Expert Opinion on Drug Discovery 2 (12), 1567-1577, 2007
3452007
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
3282008
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
3082010
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
2962011
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
2722006
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
2412011
Green chemistry in the synthesis of pharmaceuticals
S Kar, H Sanderson, K Roy, E Benfenati, J Leszczynski
Chemical Reviews 122 (3), 3637-3710, 2021
1932021
“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
1762015
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
1632015
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
1532013
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
1522009
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Straipsniai 1–20