Modelling aquatic toxicity with advanced computational techniques: Procedures to standardize data and compare models

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Predictive chemical models, commonly called quantitative structure-activity relationships (QSAR), are facing a period of changes and challenges. There is a transition from classical models to new models, more sophisticated. Meanwhile, there is an increased interest in regulators on QSAR in fields as toxicity assessment. This requires more standardisation, even though the research is very dynamic and no common opinion exists on many issues. The present article is a contribution to the discussion on how to standardize data and compare models, with a special attention to advanced QSAR methods, identifying the problems and targets in the field.

Original languageEnglish
Title of host publicationLecture Notes in Artificial Intelligence (Subseries of Lecture Notes in Computer Science)
EditorsJ.A. Lopez, E. Benfenati, W. Dubitzky
Pages235-248
Number of pages14
Volume3303
Publication statusPublished - 2004
EventInternational Symposium KELSI 2004: Knowledge Exploration in Life Science Informatics - Milan, Italy
Duration: Nov 25 2004Nov 26 2004

Other

OtherInternational Symposium KELSI 2004: Knowledge Exploration in Life Science Informatics
CountryItaly
CityMilan
Period11/25/0411/26/04

ASJC Scopus subject areas

  • Hardware and Architecture
  • Computer Science(all)
  • Theoretical Computer Science

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    Benfenati, E. (2004). Modelling aquatic toxicity with advanced computational techniques: Procedures to standardize data and compare models. In J. A. Lopez, E. Benfenati, & W. Dubitzky (Eds.), Lecture Notes in Artificial Intelligence (Subseries of Lecture Notes in Computer Science) (Vol. 3303, pp. 235-248)