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PLS assessment of the performance of short‐term tests for carcinogens
Author(s) -
Tosato Maria Livia,
Cesareo Daniela,
Passerini Laura,
Clementi Sergio
Publication year - 1988
Publication title -
journal of chemometrics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.47
H-Index - 92
eISSN - 1099-128X
pISSN - 0886-9383
DOI - 10.1002/cem.1180020303
Subject(s) - false positive paradox , carcinogen , false positives and false negatives , partial least squares regression , term (time) , statistics , toxicology , chemistry , mathematics , biology , physics , organic chemistry , quantum mechanics
Partial least squares modelling in latent variables is applied to the analysis of short‐term test genotoxicity data obtained by testing 42 chemicals, known carcinogens and non‐carcinogens, in 35 different assay systems that are deemed to be potential indicators of carcinogencity. Results of a preliminary analysis of all data, and of a second analysis on a reduced data base, are presented. The latter analysis provided a model explaining 73% of variance, whereby no false negative or positive was predicted among 38 chemicals, in spite of qualitative predictions indicating five false positives and two false negatives. Only nine out of 35 assays appear to be relevant to the description of carcinogenicity/non‐carcinogenicity of chemical substances.