The use of the DEMETRA models

Emilio Benfenati, Marian Craciun, Daniel Neagu

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

Keeping in mind the regulatory frameworks and the tendency to explore alternative approaches, DEMETRA proposes five models for the specific target of the pesticide evaluation, in particular for the endpoints: trout, daphnia, quail, and bee. Each DEMETRA model, for each of the endpoints, is an intelligent integrated model, also called hybrid model, including other simpler models. DEMETRA has been built up since its planning in close contacts with end users, which is a major difference, compared with the current quantitative structure-activity relationship (QSAR) models. The major user category identified within the DEMETRA project is the regulatory body. Another important category is industry in the field of plan protection products. Another major category of users is academy and research institutes. DEMETRA has been able to develop innovative tools on a scientific point of view, both for the chemical information, introducing some new descriptors and on a computational point of view, in particular, in the field of the hybrid models and systems for QSAR.

Original languageEnglish
Title of host publicationQuantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes
PublisherElsevier
Pages303-313
Number of pages11
ISBN (Print)9780444527103
DOIs
Publication statusPublished - 2007

ASJC Scopus subject areas

  • Agricultural and Biological Sciences(all)

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    Benfenati, E., Craciun, M., & Neagu, D. (2007). The use of the DEMETRA models. In Quantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes (pp. 303-313). Elsevier. https://doi.org/10.1016/B978-044452710-3/50011-2