Mixing a symbolic and a subsymbolic expert to improve carcinogenicity prediction of aromatic compounds

Giuseppina Gini, Marco Lorenzini, Emilio Benfenati, Raffaella Brambilla, Luca Malvé

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

Abstract

One approach to deal with real complex systems is to use two or more techniques in order to combine their different strengths and overcome each other’s weakness to generate hybrid solutions. In this project we pointed out the needs of an improved system in toxicology prediction. An architecture able to satisfy these needs has been developed. The main tools we integrated are rules and ANN. We defined chemical structures of fragments responsible for carcinogenicity according to human experts. After them we developed specialized rules to recognize these fragments into a given chemical and to assess their toxicity. In practice the rule-based expert associates a category to each fragment found, then a category to the molecule. Furthermore, we developed an ANN-based expert that uses molecular descriptors in input and predicts carcinogenicity as a numerical value. Finally we added a classifier program to combine the results obtained from the two previous experts into a single predictive class of carcinogenicity to man.

Original languageEnglish
Title of host publicationLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
PublisherSpringer Verlag
Pages126-135
Number of pages10
Volume2096
ISBN (Print)3540422846, 9783540422846
Publication statusPublished - 2001
Event2nd International Workshop on Multiple Classifier Systems, MCS 2001 - Cambridge, United Kingdom
Duration: Jul 2 2001Jul 4 2001

Publication series

NameLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
Volume2096
ISSN (Print)03029743
ISSN (Electronic)16113349

Other

Other2nd International Workshop on Multiple Classifier Systems, MCS 2001
CountryUnited Kingdom
CityCambridge
Period7/2/017/4/01

ASJC Scopus subject areas

  • Computer Science(all)
  • Theoretical Computer Science

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