Feature combination networks for the interpretation of statistical machine learning models: application to Ames mutagenicity

Universal Approach for Structural Interpretation of QSAR/QSPR Models

(2013) Pavel G. Polishchuk et al.   Molecular Informatics

Automatic knowledge extraction from chemical structures: the case of mutagenicity prediction

(2013) T. Ferrari et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods

(2013) Sereina Riniker et al.   Journal of Cheminformatics

Automating Knowledge Discovery for Toxicity Prediction Using Jumping Emerging Pattern Mining

(2012) Richard Sherhod et al.   Journal of Chemical Information and Modeling

Visual Interpretation of Kernel-Based Prediction Models

(2011) Katja Hansen et al.   Molecular Informatics

An investigation into pharmaceutically relevant mutagenicity data and the influence on Ames predictive potential

(2011) Patrick McCarren et al.   Journal of Cheminformatics

Interpretation of Nonlinear QSAR Models Applied to Ames Mutagenicity Data

(2009) Lars Carlsson et al.   Journal of Chemical Information and Modeling

Benchmark Data Set for in Silico Prediction of Ames Mutagenicity

(2009) Katja Hansen et al.   Journal of Chemical Information and Modeling

Hierarchical QSAR technology based on the Simplex representation of molecular structure

(2008) V. E. Kuz’min et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Group-Based QSAR (G-QSAR): Mitigating Interpretation Challenges in QSAR

(2008) Subhash Ajmani et al.   Quantitative structure-activity relationships & combinatorial science