Regression methods for developing QSAR and QSPR models to predict compounds of specific pharmacodynamic, pharmacokinetic and toxicological properties

CW Yap, H Li, ZL Ji, YZ Chen - Mini reviews in medicinal …, 2007 - ingentaconnect.com
Quantitative structure-activity relationship (QSAR) and quantitative structure-property
relationship (QSPR) models have been extensively used for predicting compounds of …

Prediction of compounds with specific pharmacodynamic, pharmacokinetic or toxicological property by statistical learning methods

CW Yap, Y Xue, H Li, ZR Li, CY Ung… - Mini Reviews in …, 2006 - ingentaconnect.com
Computational methods for predicting compounds of specific pharmacodynamic,
pharmacokinetic, or toxicological property are useful for facilitating drug discovery and drug …

Quantitative structure-activity relationships: a novel approach of drug design and discovery

A Vaidya, S Jain, S Jain, AK Jain… - Journal of …, 2014 - ingentaconnect.com
Quantitative structure-activity relationships (QSAR) play a central role in computational
molecular modeling methodologies, since last two decade. QSARs are cheaper and rapid …

[PDF][PDF] Review on: quantitative structure activity relationship (QSAR) modeling

U Muhammad, A Uzairu, D Ebuka Arthur - J Anal Pharm Res, 2018 - academia.edu
Abstract Quantitative Structure Activity Relationship (QSAR) are mathematical models that
seek to predict complicated physicochemical/biological properties of chemicals from their …

[PDF][PDF] A practical overview of quantitative structure-activity relationship

C Isarankura-Na-Ayudhya, T Naenna, C Nantasenamat… - 2009 - core.ac.uk
Quantitative structure-activity relationship (QSAR) modeling pertains to the construction of
predictive models of biological activities as a function of structural and molecular information …

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… - Journal of …, 2013 - Wiley Online Library
Quantitative structure–activity relationship (QSAR) techniques have found wide application
in the fields of drug design, property modeling, and toxicity prediction of untested chemicals …

Current approaches for choosing feature selection and learning algorithms in quantitative structure–activity relationships (QSAR)

PM Khan, K Roy - Expert opinion on drug discovery, 2018 - Taylor & Francis
Introduction: Quantitative structure-activity/property relationships (QSAR/QSPR) are
statistical models which quantitatively correlate quantitative chemical structure information …

Current modeling methods used in QSAR/QSPR

LC Yee, YC Wei - … modelling of molecular descriptors in QSAR …, 2012 - Wiley Online Library
A drug company has to ensure the quality, safety, and efficacy of a marketed drug by
subjecting the drug to a variety of tests [1]. Therefore, drug development is a time-consuming …

QSAR/QSPR modeling: introduction

K Roy, S Kar, RN Das, K Roy, S Kar, RN Das - A Primer on QSAR/QSPR …, 2015 - Springer
Abstract Development of predictive quantitative structure–activity relationship (QSAR)
models plays a significant role in the design of purpose-specific fine chemicals including …

How to judge predictive quality of classification and regression based QSAR models?

K Roy, S Kar - Frontiers in computational chemistry, 2015 - Elsevier
Quantitative structure-activity relationship (QSAR) is a statistical modelling approach that
can be used in drug discovery, environmental fate modeling, property and activity prediction …