Predicting carcinogenicity of organic compounds based on CPDB

IARC Monographs on the Evaluation of Carcinogenic Risks to Humans

A. J. Zuckerman · Journal of Clinical Pathology · 1995 · 8.8K citations · Full text

Medicine, Oncology, Toxicology +14

Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships

Tatiana I. Netzeva, Andrew Worth, Tom Aldenberg et al. · Alternatives to Laboratory Animals · 2005 · 814 citations

Pharmacy, Pharmacology, Drug Design +9

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

Partha Pratim Roy, Kunal Roy · QSAR & Combinatorial Science · 2007 · 804 citations · Full text

Computing, Biostatistics, Optimization +15

Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods:  An Analysis of ALOGP and CLOGP Methods

Arup K. Ghose, Vellarkad N. Viswanadhan, John J. Wendoloski · The Journal of Physical Chemistry A · 1998 · 794 citations

Pharmacy, Chemistry, Medicinal Chemistry +17

On some aspects of validation of predictive quantitative structure–activity relationship models

Kunal Roy · Expert Opinion on Drug Discovery · 2007 · 299 citations

Pharmacy, Medicinal Chemistry, Method Validation +15