Analysis of the co-evolutions of correlations as a tool for QSAR-modeling of carcinogenicity: an unexpected good prediction based on a model that seems untrustworthy

Additive SMILES-Based Carcinogenicity Models: Probabilistic Principles in the Search for Robust Predictions

(2009) Andrey Toropov et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

QSAR analysis for quinoxaline-2-carboxylate 1,4-di-N-oxides as anti-mycobacterial agents

(2009) Esther Vicente et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

QSAR modelling of carcinogenicity by balance of correlations

(2009) A. A. Toropov et al.   MOLECULAR DIVERSITY

Predictive QSAR workflow for the in silico identification and screening of novel HDAC inhibitors

(2009) Georgia Melagraki et al.   MOLECULAR DIVERSITY

Exploring the impact of size of training sets for the development of predictive QSAR models

(2007) Partha Pratim Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

On Some Aspects of Variable Selection for Partial Least Squares Regression Models

(2007) Partha Pratim Roy et al.   Quantitative structure-activity relationships & combinatorial science