Mark T. D. Cronin

18 papers B 1Journal 15Unranked 2
YearRankTypeTitle / Venue / Authors
2018 J jnl
Assessment and Reproducibility of Quantitative Structure-Activity Relationship Models by the Nonexpert.
J. Chem. Inf. Model.
Mukesh Patel, Martyn L. Chilton, Andrea Sartini, Laura Gibson, Chris Barber, Liz Covey-Crump, Katarzyna R. Przybylak, Mark T. D. Cronin, Judith C. Madden
2015 J jnl
Data Quality in the Human and Environmental Health Sciences: Using Statistical Confidence Scoring to Improve QSAR/QSPR Modeling.
J. Chem. Inf. Model.
Fabian P. Steinmetz, Judith C. Madden, Mark T. D. Cronin
2014 B conf
Feature Selection Modelling for Percutaneous Absorption across Synthetic Membranes.
ICTAI
Weam M. Binjumah, Yi Sun, Mark Hewitt, Rod Adams, Neil Davey, Darren R. Gullick, Simon C. Wilkinson, Mark T. D. Cronin, Gary P. Moss
2014 J jnl
How Does the Quality of Phospholipidosis Data Influence the Predictivity of Structural Alerts?
J. Chem. Inf. Model.
Katarzyna R. Przybylak, Abdullah Rzgallah Alzahrani, Mark T. D. Cronin
2013 J jnl
Pragmatic Approaches to Using Computational Methods To Predict Xenobiotic Metabolism.
J. Chem. Inf. Model.
Przemyslaw Piechota, Mark T. D. Cronin, Mark Hewitt, Judith C. Madden
2012 J jnl
Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system.
J. Cheminformatics
Johannes Schwöbel, Bruno Bienfait, Johann Gasteiger, Thomas Kleinöder, Jörg Marusczyk, Oliver Sacher, Christof H. Schwab, Aleksey Tarkhov, Lothar Terfloth, Mark T. D. Cronin
2011 J jnl
Application of a chemical reactivity database to predict toxicity for reactive mechanisms.
J. Cheminformatics
Johannes Schwöbel, Judith C. Madden, Mark T. D. Cronin
2011 J jnl
Assessment of Methods To Define the Applicability Domain of Structural Alert Models.
J. Chem. Inf. Model.
Claire M. Ellison, Richard Sherhod, Mark T. D. Cronin, Steven J. Enoch, Judith C. Madden, Philip N. Judson
2007 J jnl
Consensus QSAR Models: Do the Benefits Outweigh the Complexity?
J. Chem. Inf. Model.
Mark Hewitt, Mark T. D. Cronin, Judith C. Madden, Philip H. Rowe, Clara Johnson, Anrdrea Obi, Steven J. Enoch
2006 J jnl
Diagnostic Tools to Determine the Quality of "Transparent" Regression-Based QSARs: The "Modelling Power" Plot.
J. Chem. Inf. Model.
Salvador Sagrado, Mark T. D. Cronin
2005 — conf
A Study on Feature Selection for Toxicity Prediction.
FSKD (2)
Gongde Guo, Daniel Neagu, Mark T. D. Cronin
2005 J jnl
Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs.
J. Chem. Inf. Model.
Tatiana I. Netzeva, Aynur O. Aptula, Emilio Benfenati, Mark T. D. Cronin, Giuseppina C. Gini, Iglika Lessigiarska, Uko Maran, Marjan Vracko, Gerrit Schüürmann
2005 — conf
Using
ICAPR (1)
Gongde Guo, Daniel Neagu, Mark T. D. Cronin
2004 J jnl
QSAR Analysis of the Toxicity of Aromatic Compounds to
J. Chem. Inf. Model.
Tatiana I. Netzeva, John C. Dearden, Robert Edwards, Andrew D. P. Worgan, Mark T. D. Cronin
2003 J jnl
Molecular Quantum Similarity Analysis of Estrogenic Activity.
J. Chem. Inf. Comput. Sci.
Ana Gallegos Saliner, Lluís Amat, Ramon Carbó-Dorca, T. Wayne Schultz, Mark T. D. Cronin
2002 J jnl
Structure-Based Classification of Antibacterial Activity.
J. Chem. Inf. Comput. Sci.
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
2001 J jnl
A Novel Index for the Description of Molecular Linearity.
J. Chem. Inf. Comput. Sci.
Hiren Patel, Mark T. D. Cronin
1999 J jnl
Response-Surface Analyses for Toxicity to Tetrahymena pyriformis: Reactive Carbonyl-Containing Aliphatic Chemicals.
J. Chem. Inf. Comput. Sci.
T. Wayne Schultz, Mark T. D. Cronin