Title: QSAR modelling of nanomaterials
Authors: BURELLO ENRICOWORTH Andrew
Citation: WILEY INTERDISCIPLINARY REVIEWS-NANOMEDICINE AND NANOBIOTECHNOLOGY vol. 3 no. 3 p. 298 - 306
Publisher: JOHN WILEY & SONS INC
Publication Year: 2011
JRC N°: JRC62139
ISSN: 1939-5116
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC62139
DOI: 10.1002/wnan.137
Type: Articles in Journals
Abstract: A thorough understanding of the relationships between the physicochemical properties and the behaviour of nanomaterials in biological systems is mandatory for designing safe and efficacious nanomedicines. Quantitative Structure-Activity Relationship (QSAR) methods help to establish such relationships, although, their application to model the behaviour of nanomaterials requires new ideas and applications to account for the novel properties of this class of compounds. This review presents and discusses a number of recent inspiring applications of QSAR modelling and descriptors for nanomaterials with a focus on approaches that attempt to describe the interactions that take place at the nano/bio interface. The paradigm shift from classic to nano QSAR currently relies on both theoretically and experimentally derived descriptors, and the solutions adopted for modelling are diverse, mirroring the structural and behavioural heterogeneity of nanomaterials. Research should focus on both aspects of a QSAR study: the generation of nano-specific theoretical descriptors and experimental test data.
JRC Institute:Institute for Health and Consumer Protection

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