Model Applicabilty

Model Selection Based on Structural Similarity-Method Description and Application to Water Solubility Prediction

Ralph Kühne, Ralf-Uwe Ebert, and Gerrit Schüürmann

J. Chem. Inf. Model., 46 (2), 636 -641, 2006. Get Paper

Structurally "Targeted" Quantitative Structure-Property Relationship Method for Property Prediction

Neima Brauner, Roumiana P. Stateva, Georgi St. Cholakov, and Mordechai Shacham

J. Chem. Inf. Model., 46 (2), 636 -641, 2006. Get Paper

Mechanistic Applicability Domains for Nonanimal-Based Prediction of Toxicological End Points: General Principles and Application to Reactive Toxicity

Aynur O. Aptula and David W. Roberts

Chem. Res. Toxicol.; 19(8), 1097 - 1105, 2006. Get Paper

Practical Considerations on the Use of Predictive Models for Regulatory Purposes

Jay Tunkel, Kelly Mayo, Carlye Austin, Amy Hickerson, and Philip Howard

Environ. Sci. Technol., 39 (7), 2188 -2199, 2005. Get Paper

Determining the Validity of a QSAR Model - A Classification Approach

Rajarshi Guha and Peter C. Jurs

J. Chem. Inf. Model., 45 (1), 65 -73, 2005. Get Paper

A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models

Sabcho Dimitrov, Gergana Dimitrova, Todor Pavlov, Nadezhda Dimitrova, Grace Patlewicz, Jay Niemela, and Ovanes Mekenyan

J. Chem. Inf. Model., 45 (4), 839 -849, 2005. Get Paper

A QSAR for Baseline Toxicity: Validation, Domain of Application, and Prediction

Tomas Öberg

Chem. Res. Toxicol., 17 (12), 1630 -1637, 2004. Get Paper

Improving Opportunities for Regulatory Acceptance of QSARs: The Importance of Model Domain, Uncertainty, Validity and Predictability

John D. Walker , Lars Carlsen, and Joanna Jaworska

QSAR Comb. Sci., 22(3), 346-350, 2003. Get Paper