Mark T. D. Cronin

According to our database, Mark T. D. Cronin authored at least 19 papers between 1999 and 2018.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2018

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

2015

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

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

Feature Selection Modelling for Percutaneous Absorption across Synthetic Membranes.

Weam M. Binjumah, Yi Sun, Mark Hewitt, Rod Adams, Neil Davey, Darren R. Gullick, Simon C. Wilkinson, Mark T. D. Cronin, Gary P. Moss

Proceedings of the 26th IEEE International Conference on Tools with Artificial Intelligence, 2014

2013

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

2012

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

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

Application of a chemical reactivity database to predict toxicity for reactive mechanisms.

Johannes Schwöbel, Judith C. Madden, Mark T. D. Cronin

J. Cheminformatics, 2011

2009

<i>In Silico</i> 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

2007

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

2006

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

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

Using <i>k</i>NN Model for Automatic Feature Selection.

Gongde Guo, Daniel Neagu, Mark T. D. Cronin

Proceedings of the Pattern Recognition and Data Mining, 2005

A Study on Feature Selection for Toxicity Prediction.

Gongde Guo, Daniel Neagu, Mark T. D. Cronin

Proceedings of the Fuzzy Systems and Knowledge Discovery, Second International Conference, 2005

2004

QSAR Analysis of the Toxicity of Aromatic Compounds to <i>Chlorella </i><i>v</i><i>ulgaris</i> 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

2003

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

2002

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

2001

A Novel Index for the Description of Molecular Linearity.

Hiren Patel, Mark T. D. Cronin

J. Chem. Inf. Comput. Sci., 2001

1999

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