Quantitative structure-activity relationships (QSARs): A few validation methods and software tools developed at the DTC laboratory

Drug Theoretics and Cheminformatics (DTC) Laboratory, Department of Pharmaceutical Technology,
Jadavpur University, Kolkata-700 032, India
E-mail: kunal.roy@jadavpuruniversity.in Fax: 91-33-28371078
Manuscript received online 02 November 2018, accepted 26 November 2018

In this presentation, different quantitative structure-activity relationship (QSAR) modeling approaches and their use in drug
design and ecotoxicological modeling are briefly stated. The aspects of feature selection, modeling algorithms and validation
strategies are mentioned at an elementary level. Different novel strategies for improving statistical quality and predictive ability
of QSAR models are also cursorily presented. Finally, four useful tools for QSAR model validation as developed by the Drug
Theoretics and Cheminformatics (DTC) Laboratory of Jadavpur University are discussed. These tools are available for public
use via http://teqip.jdvu.ac.in/QSAR_Tools/ and https://dtclab.webs.com/software-tools.