REACH and in silico methods: An attractive opportunity for medicinal chemists

Orazio Nicolotti, Emilio Benfenati, Angelo Carotti, Domenico Gadaleta, Andrea Gissi, Giuseppe Felice Mangiatordi, Ettore Novellino

Research output: Contribution to journalArticlepeer-review


REACH, the most ambitious chemical legislation in the world, provides unprecedented opportunities for medicinal chemists. Companies must report (eco)toxicological information about their chemicals, disseminated to the public domain by the European Chemicals Agency after their registration. The availability of this wealth of new toxicological data, together with the promotion of REACH of in silico methods, appoints medicinal chemists to a leading role in the regulatory hazard assessment process. In fact, Quantitative Structure-Activity Relation ship (QSAR) models and predictive toxicology have been applied in drug design and development for decades. Here, we discuss toxicological endpoints and areas where further development is needed to provide an enlightened appraisal of this attractive new opportunity.

Original languageEnglish
Pages (from-to)1757-1768
Number of pages12
JournalDrug Discovery Today
Issue number11
Publication statusPublished - 2014

ASJC Scopus subject areas

  • Drug Discovery
  • Pharmacology
  • Medicine(all)


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