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Mark T. D. Cronin
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2010 – 2019
- 2018
- [j16]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): 673-682 (2018) - 2015
- [j15]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): 1739-1746 (2015) - 2014
- [j14]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): 2224-2232 (2014) - [c3]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: 1021-1025 - 2013
- [j13]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): 1282-1293 (2013) - 2012
- [j12]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): 8 (2012) - 2011
- [j11]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): 18 (2011) - [j10]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): 975-985 (2011)
2000 – 2009
- 2009
- [j9]Mark Hewitt, Mark T. D. Cronin, Steven J. Enoch, Judith C. Madden, David W. Roberts, John C. Dearden:
In Silico Prediction of Aqueous Solubility: The Solubility Challenge. J. Chem. Inf. Model. 49(11): 2572-2587 (2009) - 2007
- [j8]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): 1460-1468 (2007) - 2006
- [j7]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): 1523-1532 (2006) - 2005
- [j6]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): 106-114 (2005) - [c2]Gongde Guo, Daniel Neagu, Mark T. D. Cronin:
A Study on Feature Selection for Toxicity Prediction. FSKD (2) 2005: 31-34 - [c1]Gongde Guo, Daniel Neagu, Mark T. D. Cronin:
Using kNN Model for Automatic Feature Selection. ICAPR (1) 2005: 410-419 - 2004
- [j5]Tatiana I. Netzeva, John C. Dearden, Robert Edwards, Andrew D. P. Worgan, Mark T. D. Cronin:
QSAR Analysis of the Toxicity of Aromatic Compounds to Chlorella vulgaris in a Novel Short-Term Assay. J. Chem. Inf. Model. 44(1): 258-265 (2004) - 2003
- [j4]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): 1166-1176 (2003) - 2002
- [j3]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): 869-878 (2002) - 2001
- [j2]Hiren Patel, Mark T. D. Cronin:
A Novel Index for the Description of Molecular Linearity. J. Chem. Inf. Comput. Sci. 41(5): 1228-1236 (2001)
1990 – 1999
- 1999
- [j1]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): 304-309 (1999)
Coauthor Index
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