Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models

Roy et al. On Two Novel Parameters for Validation of Predictive QSAR Models. Molecules, 2009, 14, 1660-1701

(2010) Partha Pratim Roy et al.   MOLECULES

Modeling the overall persistence and environmental mobility of sulfur-containing polychlorinated organic compounds

(2009) Aleksandra Mostrąg et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Predicting water solubility of congeners: Chloronaphthalenes—A case study

(2009) Tomasz Puzyn et al.   JOURNAL OF HAZARDOUS MATERIALS

On Two Novel Parameters for Validation of Predictive QSAR Models

(2009) Partha Pratim Roy et al.   MOLECULES

How Do the Partitioning Properties of Polyhalogenated POPs Change When Chlorine Is Replaced with Bromine?

(2008) Tomasz Puzyn et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Accurate and Validated Quantitative Structure-Activity Relationship Model of Caspase-mediated Apoptosis-inducing Activity of Phenolic Compounds Using Density Functional Theory Calculation and Genetic Algorithm-Multiple Linear Regression

(2008) Jin Chang et al.   Quantitative structure-activity relationships & combinatorial science

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