Prof. Kunal Roy ,   PhD

Professor, Drug Theoretics and Cheminformatics Laboratory

Department of Pharmaceutical Technology

Jadavpur University

Kolkata 700 032 (INDIA)

E-mail : kunalroy_in@yahoo.com , kunal.roy@jadavpuruniversity.in 

URL : http://sites.google.com/site/kunalroyindia/ , http://www.jaduniv.edu.in/profile.php?uid=550   

& Visiting Scientist, 

IRCCS - Istituto di Ricerche Farmacologiche Mario Negri, 

Via La Masa, 19 - 20156 Milano, Italy

Formerly, Marie Curie International Incoming Fellow and Commonwealth Academic Staff Fellow, University of Manchester, UK

Co-Editor-in-Chief, Molecular Diversity (Springer) (http://www.springeronline.com/journal/11030/) [Impact Factor 2.229 (2017)]

Editor-in-Chief, International Journal of Quantitative Structure-Property Relationships (IJQSPR), http://www.igi-global.com/journal/international-journal-quantitative-structure-property/126552                                                                  

Member of the Editorial Advisory Board: 

(1) European Journal of Medicinal Chemistry (Elsevier, http://www.elsevier.com/locate/ejmech/) [Impact Factor 4.816 (2017)]


(2)  Journal of Molecular Graphics and Modelling (Elsevier, http://www.journals.elsevier.com/journal-of-molecular-graphics-and-modelling)  [Impact factor 1.885 (2017)]

(3) Computational and Structural Biotechnology Journal (Elsevier,

https://www.journals.elsevier.com/computational-and-structural-biotechnology-journal ) [Impact Factor 4.148 (2017)]


(3)  Chemical Biology and Drug Design (Wiley, http://onlinelibrary.wiley.com/journal/10.1111/(ISSN)1747-0285

 [Impact Factor 2.328 (2017)]


(4) Expert Opinion on Drug Discovery (Informa, http://informahealthcare.com/loi/edc ) 

[Impact Factor 4.692 (2017)]


(5) Letters in Drug Design and   Discovery (Bentham, 

http://benthamscience.com/journal/index.php?journalID=lddd) [Impact Factor 0.924 (2017)]

(6) Current Computer-Aided Drug Design (Bentham,  http://benthamscience.com/journals/current-computer-aided-drug-design/  ) [Impact Factor 0.77 (2017)]



Guest Editor, Special Issue of Molecular Diversity (http://www.springeronline.com/journal/11030/
on "Topological Descriptors in Drug Design and Modeling Studies" [Vol. 8, No. 4, 2004]

Guest Editor, Special Issue of Molecular Diversity (http://www.springeronline.com/journal/11030/)  on "Ecotoxicological Modeling and Risk Assessment  Using Chemometric Tools" [Vol. 10, No. 2, 2006]


Recipient of 

Commonwealth Academic Staff Fellowship (2007),

Marie Curie International Incoming Fellowship (2013)

            AICTE Career Award (2003-04),

DST Fast Track Scheme for Young Scientists (2005)

Bioorganic and Medicinal Chemistry Most Cited Paper 2003-2006, 2004-2007 and 2006-2009 Awards from Elsevier, The Netherlands.

Bioorganic and Medicinal Chemistry Letters Most Cited Paper 2006-2009 Award from Elsevier, The Netherlands.

Professor R. D. Desai 80th Birthday Commemoration Medal & Prize (2017), Indian Chemical Society


Research area of interest: QSAR and Molecular Modeling

List of Publications: LINK  (click on the link)
Other Professional Activities

Reviewer of QSAR papers of different Journals: Bioorganic and Medicinal Chemistry Letters (Elsevier), Journal of Molecular Modeling (Springer), European Journal of Medicinal Chemistry (Elsevier), Journal of Chemical Information and Modeling (ACS), Chemical Biology and Drug Design (Blackwell-Wiley), Molecular Informatics (Wiley), SAR and QSAR in Environmental Research (Taylor and Francis) etc.


Announcements and Links:
The Extended Topochemical Atom (ETA) indices developed by the Drug Theoretics Laboratory, Department of Pharmaceutical Technology, Jadavpur University (https://sites.google.com/site/etaindexinqsar/) are now available for computation in PaDEL-Descriptor, an open source software of NUS, Singapore (http://padel.nus.edu.sg/software/padeldescriptor/).
QSAR model development tools: http://dtclab.webs.com/software-tools

We are a Partner of the nanoBRIDGES project (http://nanobridges.eu/); Our contributions:  
Nano-Quantitative Structure-Activity Relationship Modeling Using Easily Computable and Interpretable Descriptors for Uptake of Magnetofluorescent Engineered Nanoparticles in Pancreatic Cancer Cells. Toxicol in vitro, 28, 2014, 600-606, http://dx.doi.org/10.1016/j.tiv.2013.12.018
Periodic table-based descriptors to encode cytotoxicity profile of metal oxide nanoparticles: A mechanistic QSTR approach. Ecotox Environ Saf, 107, 2014, 162-169, http://dx.doi.org/10.1016/j.ecoenv.2014.05.026
Kar S, Gajewicz A, Roy K, Leszczynski J, Puzyn T, Extrapolating between toxicity endpoints of metal oxide nanoparticles: Predicting toxicity to Escherichia coli and human keratinocyte cell line (HaCaT) with Nano-QTTR. Ecotox Environ Saf, 126, 2016, 238-244, http://dx.doi.org/10.1016/j.ecoenv.2015.12.033 .

NEW : Free QSAR tools downloadable from  http://teqip.jdvu.ac.in/QSAR_Tools/               

Featured Publications
          Roy K, Kar S, Ambure P, On a simple approach for determining applicability domain of QSAR models Chemom Intell Lab Sys, 145, 2015, 22-29, http://dx.doi.org/10.1016/j.chemolab.2015.04.013
   Roy K, Das RN, Ambure P, Aher RB, Be aware of error measures. Further studies on validation of predictive QSAR models. Chemom Intell Lab Sys, 152, 2016, 18-33, http://dx.doi.org/10.1016/j.chemolab.2016.01.008     
    Roy K, Ambure P, Aher R, How important is to detect systematic error in predictions and understand statistical applicability domain of QSAR models? Chemom Intell Lab Sys, 162, 2017, 44-54, https://authors.elsevier.com/a/1UOpFcc6LvBdv
            Roy K, Ambue P, Kar S, How Precise Are Our Quantitative Structure–Activity Relationship Derived Predictions for New Query Chemicals? ACS Omega, 3, 2018, 11392-11406, http://dx.doi.org/10.1021/acsomega.8b01647

Last updated on January 16, 2019

                                                            Mail me to kunalroy_in@yahoo.com



Subpages (1): krlistofpublications