Mark T. D. Cronin

Publication Activity (10 Years)

Years Active: 1999-2018
Publications (10 Years): 2

Top Topics

Structural Features

Computational Methods

Chemical Compounds

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Publications

Mukesh Patel, Martyn L. Chilton, Andrea Sartini, Laura Gibson, Chris Barber, Liz Covey-Crump, Katarzyna R. Przybylak, Mark T. D. Cronin, Judith C. Madden
Assessment and Reproducibility of Quantitative Structure-Activity Relationship Models by the Nonexpert. J. Chem. Inf. Model. 58 (3) (2018)
Fabian P. Steinmetz, Judith C. Madden, Mark T. D. Cronin
Data Quality in the Human and Environmental Health Sciences: Using Statistical Confidence Scoring to Improve QSAR/QSPR Modeling. J. Chem. Inf. Model. 55 (8) (2015)
Weam M. Binjumah, Yi Sun, Mark Hewitt, Rod Adams, Neil Davey, Darren R. Gullick, Simon C. Wilkinson, Mark T. D. Cronin, Gary P. Moss
Feature Selection Modelling for Percutaneous Absorption across Synthetic Membranes. ICTAI (2014)
Katarzyna R. Przybylak, Abdullah Rzgallah Alzahrani, Mark T. D. Cronin
How Does the Quality of Phospholipidosis Data Influence the Predictivity of Structural Alerts? J. Chem. Inf. Model. 54 (8) (2014)
Przemyslaw Piechota, Mark T. D. Cronin, Mark Hewitt, Judith C. Madden
Pragmatic Approaches to Using Computational Methods To Predict Xenobiotic Metabolism. J. Chem. Inf. Model. 53 (6) (2013)
Johannes Schwöbel, Bruno Bienfait, Johann Gasteiger, Thomas Kleinöder, Jörg Marusczyk, Oliver Sacher, Christof H. Schwab, Aleksey Tarkhov, Lothar Terfloth, Mark T. D. Cronin
Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system. J. Cheminformatics 4 (S-1) (2012)
Claire M. Ellison, Richard Sherhod, Mark T. D. Cronin, Steven J. Enoch, Judith C. Madden, Philip N. Judson
Assessment of Methods To Define the Applicability Domain of Structural Alert Models. J. Chem. Inf. Model. 51 (5) (2011)
Johannes Schwöbel, Judith C. Madden, Mark T. D. Cronin
Application of a chemical reactivity database to predict toxicity for reactive mechanisms. J. Cheminformatics 3 (S-1) (2011)
Mark Hewitt, Mark T. D. Cronin, Steven J. Enoch, Judith C. Madden, David W. Roberts, John C. Dearden
Prediction of Aqueous Solubility: The Solubility Challenge. J. Chem. Inf. Model. 49 (11) (2009)
Mark Hewitt, Mark T. D. Cronin, Judith C. Madden, Philip H. Rowe, Clara Johnson, Anrdrea Obi, Steven J. Enoch
Consensus QSAR Models: Do the Benefits Outweigh the Complexity? J. Chem. Inf. Model. 47 (4) (2007)
Salvador Sagrado, Mark T. D. Cronin
Diagnostic Tools to Determine the Quality of "Transparent" Regression-Based QSARs: The "Modelling Power" Plot. J. Chem. Inf. Model. 46 (3) (2006)
Gongde Guo, Daniel Neagu, Mark T. D. Cronin
A Study on Feature Selection for Toxicity Prediction. FSKD (2) (2005)
Gongde Guo, Daniel Neagu, Mark T. D. Cronin
NN Model for Automatic Feature Selection. ICAPR (1) (2005)
Tatiana I. Netzeva, Aynur O. Aptula, Emilio Benfenati, Mark T. D. Cronin, Giuseppina C. Gini, Iglika Lessigiarska, Uko Maran, Marjan Vracko, Gerrit Schüürmann
Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs. J. Chem. Inf. Model. 45 (1) (2005)
Tatiana I. Netzeva, John C. Dearden, Robert Edwards, Andrew D. P. Worgan, Mark T. D. Cronin
in a Novel Short-Term Assay. J. Chem. Inf. Model. 44 (1) (2004)
Ana Gallegos Saliner, Lluís Amat, Ramon Carbó-Dorca, T. Wayne Schultz, Mark T. D. Cronin
Molecular Quantum Similarity Analysis of Estrogenic Activity. J. Chem. Inf. Comput. Sci. 43 (4) (2003)
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
Structure-Based Classification of Antibacterial Activity. J. Chem. Inf. Comput. Sci. 42 (4) (2002)
Hiren Patel, Mark T. D. Cronin
A Novel Index for the Description of Molecular Linearity. J. Chem. Inf. Comput. Sci. 41 (5) (2001)
T. Wayne Schultz, Mark T. D. Cronin
Response-Surface Analyses for Toxicity to Tetrahymena pyriformis: Reactive Carbonyl-Containing Aliphatic Chemicals. J. Chem. Inf. Comput. Sci. 39 (2) (1999)