TY - JOUR
T1 - REACH and in silico methods
T2 - An attractive opportunity for medicinal chemists
AU - Nicolotti, Orazio
AU - Benfenati, Emilio
AU - Carotti, Angelo
AU - Gadaleta, Domenico
AU - Gissi, Andrea
AU - Mangiatordi, Giuseppe Felice
AU - Novellino, Ettore
PY - 2014
Y1 - 2014
N2 - 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.
AB - 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.
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U2 - 10.1016/j.drudis.2014.06.027
DO - 10.1016/j.drudis.2014.06.027
M3 - Article
C2 - 24998783
AN - SCOPUS:84910631140
VL - 19
SP - 1757
EP - 1768
JO - Drug Discovery Today
JF - Drug Discovery Today
SN - 1359-6446
IS - 11
ER -