QSAR with quantum topological molecular similarity indices: toxicity of aromatic aldehydes toTetrahymena pyriformis

On further application of r m2 as a metric for validation of QSAR models

(2009) Indrani Mitra et al.   JOURNAL OF CHEMOMETRICS

On Two Novel Parameters for Validation of Predictive QSAR Models

(2009) Partha Pratim Roy et al.   MOLECULES

Exploring predictive QSAR models for hepatocyte toxicity of phenols using QTMS descriptors

(2008) Kunal Roy et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Development of linear and nonlinear predictive QSAR models and their external validation using molecular similarity principle for anti-HIV indolyl aryl sulfones

(2008) Kunal Roy et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Structure–toxicity relationship for aliphatic compounds using quantum topological descriptors

(2008) A. Mohajeri et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

QSAR Modeling of the Blood–Brain Barrier Permeability for Diverse Organic Compounds

(2008) Liying Zhang et al.   PHARMACEUTICAL RESEARCH

Exploring the impact of size of training sets for the development of predictive QSAR models

(2007) Partha Pratim Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Modeling calcium channel antagonistic activity of dihydropyridine derivatives using QTMS indices analyzed by GA-PLS and PC-GA-PLS

(2007) Afshan Mohajeri et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

On Some Aspects of Variable Selection for Partial Least Squares Regression Models

(2007) Partha Pratim Roy et al.   Quantitative structure-activity relationships & combinatorial science