The e-book "Theory, guidance and applications on QSAR and REACH" has been developed within the EU funded project ORCHESTRA with the aim of providing an accessible source of information about in silico models and their use in toxicology for regulatory purposes.
Main target of this e-book are the chemical industry and regulators, which have to deal with the REACH regulation.
The e-book is freely available for download: CLICK HERE
Content
- Part A. Theory
- Part B. Practical cases
- Part C. The applications and the possible uses of QSAR models
- Annex 1. QSAR and SAR models: Basic definitions
- Annex 2. An introduction to toxicology
- Annex 3. Rigid and flexible topological indices: variety of the representations of the molecular structure
- Annex 4. A free and open source informatics library for chemistry: Chemistry Development Kit (CDK)
- Annex 5. REACH
- Annex 6. Genetic Algorithms in QSAR for REACH
- Annex 7. The CORAL software: principles, results, perspectives
