A Similarity Based Approach for Chemical Category Classification

This report aims to describe the main outcomes of an IHCP Exploratory Research Project carried out during 2005 by the European Chemicals Bureau (Computational Toxicology Action). The original aim of this project was to develop a computational method to facilitate the classification of chemicals into similarity-based chemical categories, which would be both useful for building (Q)SAR models (research application) and for defining chemical category proposals (regulatory application).JRC.I-Institute for Health and Consumer Protection (Ispra