2006 |
9 | EE | Salvador Sagrado,
Mark T. D. Cronin:
Diagnostic Tools to Determine the Quality of "Transparent" Regression-Based QSARs: The "Modelling Power" Plot.
Journal of Chemical Information and Modeling 46(3): 1523-1532 (2006) |
2005 |
8 | EE | Gongde Guo,
Daniel Neagu,
Mark T. D. Cronin:
A Study on Feature Selection for Toxicity Prediction.
FSKD (2) 2005: 31-34 |
7 | EE | Gongde Guo,
Daniel Neagu,
Mark T. D. Cronin:
Using kNN Model for Automatic Feature Selection.
ICAPR (1) 2005: 410-419 |
6 | EE | 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.
Journal of Chemical Information and Modeling 45(1): 106-114 (2005) |
2004 |
5 | EE | 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.
Journal of Chemical Information and Modeling 44(1): 258-265 (2004) |
2003 |
4 | EE | Ana Gallegos Saliner,
Lluís Amat,
Ramon Carbó-Dorca,
T. Wayne Schultz,
Mark T. D. Cronin:
Molecular Quantum Similarity Analysis of Estrogenic Activity.
Journal of Chemical Information and Computer Sciences 43(4): 1166-1176 (2003) |
2002 |
3 | EE | 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.
Journal of Chemical Information and Computer Sciences 42(4): 869-878 (2002) |
2001 |
2 | EE | Hiren Patel,
Mark T. D. Cronin:
A Novel Index for the Description of Molecular Linearity.
Journal of Chemical Information and Computer Sciences 41(5): 1228-1236 (2001) |
1999 |
1 | EE | T. Wayne Schultz,
Mark T. D. Cronin:
Response-Surface Analyses for Toxicity to Tetrahymena pyriformis: Reactive Carbonyl-Containing Aliphatic Chemicals.
Journal of Chemical Information and Computer Sciences 39(2): 304-309 (1999) |