Response-Surface Analyses for Toxicity to Tetrahymena pyriformis: Reactive Carbonyl-Containing Aliphatic Chemicals. - T. Wayne Schultz; Mark T. D. Cronin (J. Chem. Inf. Comput. Sci., 1999)

A Novel Index for the Description of Molecular Linearity. - Hiren Patel; Mark T. D. Cronin (J. Chem. Inf. Comput. Sci., 2001)

Structure-Based Classification of Antibacterial Activity. - Mark T. D. Cronin; Aynur O. Aptula; John C. Dearden; Judith C. Duffy; Tatiana I. Netzeva; Hiren Patel; Philip H. Rowe; T. Wayne Schultz; Andrew P. Worth; Konstantinos Voutzoulidis; Gerrit Schüürmann (J. Chem. Inf. Comput. Sci., 2002)

Molecular Quantum Similarity Analysis of Estrogenic Activity. - Ana Gallegos Saliner; Lluís Amat; Ramon Carbó-Dorca; T. Wayne Schultz; Mark T. D. Cronin (J. Chem. Inf. Comput. Sci., 2003)

QSAR Analysis of the Toxicity of Aromatic Compounds to Chlorella vulgaris in a Novel Short-Term Assay. - Tatiana I. Netzeva; John C. Dearden; Robert Edwards; Andrew D. P. Worgan; Mark T. D. Cronin (J. Chem. Inf. Model., 2004)

A Study on Feature Selection for Toxicity Prediction. - Gongde Guo; Daniel Neagu; Mark T. D. Cronin (FSKD (2), 2005)

Using kNN Model for Automatic Feature Selection. - Gongde Guo; Daniel Neagu; Mark T. D. Cronin (ICAPR (1), 2005)

Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs. - Tatiana I. Netzeva; Aynur O. Aptula; Emilio Benfenati; Mark T. D. Cronin; Giuseppina C. Gini; Iglika Lessigiarska; Uko Maran; Marjan Vracko; Gerrit Schüürmann (J. Chem. Inf. Model., 2005)

Diagnostic Tools to Determine the Quality of "Transparent" Regression-Based QSARs: The "Modelling Power" Plot. - Salvador Sagrado; Mark T. D. Cronin (J. Chem. Inf. Model., 2006)

Consensus QSAR Models: Do the Benefits Outweigh the Complexity? - Mark Hewitt; Mark T. D. Cronin; Judith C. Madden; Philip H. Rowe; Clara Johnson; Anrdrea Obi; Steven J. Enoch (J. Chem. Inf. Model., 2007)

In Silico Prediction of Aqueous Solubility: The Solubility Challenge. - Mark Hewitt; Mark T. D. Cronin; Steven J. Enoch; Judith C. Madden; David W. Roberts; John C. Dearden (J. Chem. Inf. Model., 2009)

Application of a chemical reactivity database to predict toxicity for reactive mechanisms. - Johannes Schwöbel; Judith C. Madden; Mark T. D. Cronin (J. Cheminformatics, 2011)

Assessment of Methods To Define the Applicability Domain of Structural Alert Models. - Claire M. Ellison; Richard Sherhod; Mark T. D. Cronin; Steven J. Enoch; Judith C. Madden; Philip N. Judson (J. Chem. Inf. Model., 2011)

Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system. - Johannes Schwöbel; Bruno Bienfait; Johann Gasteiger; Thomas Kleinöder; Jörg Marusczyk; Oliver Sacher; Christof H. Schwab; Aleksey Tarkhov; Lothar Terfloth; Mark T. D. Cronin (J. Cheminformatics, 2012)

Pragmatic Approaches to Using Computational Methods To Predict Xenobiotic Metabolism. - Przemyslaw Piechota; Mark T. D. Cronin; Mark Hewitt; Judith C. Madden (J. Chem. Inf. Model., 2013)

Feature Selection Modelling for Percutaneous Absorption across Synthetic Membranes. - Weam M. Binjumah; Yi Sun 001; Mark Hewitt; Rod Adams; Neil Davey; Darren R. Gullick; Simon C. Wilkinson; Mark T. D. Cronin; Gary P. Moss (ICTAI, 2014)

How Does the Quality of Phospholipidosis Data Influence the Predictivity of Structural Alerts? - Katarzyna R. Przybylak; Abdullah Rzgallah Alzahrani; Mark T. D. Cronin (J. Chem. Inf. Model., 2014)

Data Quality in the Human and Environmental Health Sciences: Using Statistical Confidence Scoring to Improve QSAR/QSPR Modeling. - Fabian P. Steinmetz; Judith C. Madden; Mark T. D. Cronin (J. Chem. Inf. Model., 2015)

Assessment and Reproducibility of Quantitative Structure-Activity Relationship Models by the Nonexpert. - Mukesh Patel; Martyn L. Chilton; Andrea Sartini; Laura Gibson; Chris Barber; Liz Covey-Crump; Katarzyna R. Przybylak; Mark T. D. Cronin; Judith C. Madden (J. Chem. Inf. Model., 2018)