Matches in SemOpenAlex for { <https://semopenalex.org/work/W2291127446> ?p ?o ?g. }
- W2291127446 abstract "This evaluation of the non-commercial (Q)SARs for mutagenicity and carcinogenicity consisted of a preliminary survey (Phase I), and then of a more detailed analysis of short listed models (Phase II). In Phase I, the models were collected from the literature, and then assessed according to the OECD principles –based on the information provided by the authors-. Phase I provided the support for short listing a number of promising models, that were analyzed more in depth in Phase II. In Phase II, the information provided by the authors was completed and complemented with a series of analyses aimed at generating an overall profile of each of the short listed models. The models can be divided into two families based on their target: a) congeneric; and b) non-congeneric sets of chemicals. The QSARs for congeneric chemicals include most of the chemical classes top ranking in the EU High Production Volume list, with the notable exception of the halogenated aliphatics. They almost exclusively aim at modeling Salmonella mutagenicity and rodent carcinogenicity, which are crucial toxicological endpoints in the regulatory context. The lack of models for in vivo genotoxicity should be remarked. Overall the short listed models can be interpreted mechanistically, and agree with, and/or support the available scientific knowledge, and most of the models have good statistics. Based on external prediction tests, the QSARs for the potency of congeneric chemicals are 30 to 70 % correct, whereas the models for discriminating between active and inactive chemicals have considerably higher accuracy (63 to 100 %), thus indicating that predicting intervals is more reliable than predicting individual data points. The internal validation procedures (e.g., cross-validation, etc...) did not seem to be a reliable measure of external predictivity. Among the non-local, or global approaches for non-congeneric data sets, four models based on the use of Structural Alerts (SA) were short listed and investigated in more depth. The four sets did not differ to a large extent in their performance. In the “general” databases of chemicals the SAs appear to agree around 65% with rodent carcinogenicity data, and 75% with Salmonella mutagenicity data. The SAs based models do not seem to work equally efficiently in the discrimination between active and inactive chemicals within individual chemical classes. Thus, their main role is that of preliminary, or large-scale screenings. A priority for future research on the SAs is their expansion to include alerts for nongenotoxic carcinogens. A general indication of this study, valid for both congeneric and noncongeneric models, is that there is uncertainty associated with (Q)SARs; the level of uncertainty has to be considered when using (Q)SAR in a regulatory context. However, (Q)SARs are not meant to be black-box machines for predictions, but have a much larger scope including organization and rationalization of data, contribution to highlight mechanisms of action, complementation of other data from different sources (e.g., experiments). Using only non-testing methods, the larger the evidence from QSARs (several different models, if available) and other approaches (e.g. chemical categories, read across) the higher the confidence in the prediction." @default.
- W2291127446 created "2016-06-24" @default.
- W2291127446 creator A5001717065 @default.
- W2291127446 creator A5056387919 @default.
- W2291127446 creator A5056503862 @default.
- W2291127446 creator A5084913709 @default.
- W2291127446 date "2007-01-01" @default.
- W2291127446 modified "2023-09-26" @default.
- W2291127446 title "Collection and Evaluation of (Q)SAR Models for Mutagenicity and Carcinogenicity" @default.
- W2291127446 cites W1484987052 @default.
- W2291127446 cites W15989979 @default.
- W2291127446 cites W1969345233 @default.
- W2291127446 cites W1971721885 @default.
- W2291127446 cites W1973410261 @default.
- W2291127446 cites W1976624622 @default.
- W2291127446 cites W1977173233 @default.
- W2291127446 cites W1977340881 @default.
- W2291127446 cites W1978684015 @default.
- W2291127446 cites W1980646946 @default.
- W2291127446 cites W1986760358 @default.
- W2291127446 cites W1988242038 @default.
- W2291127446 cites W1989729701 @default.
- W2291127446 cites W1991117365 @default.
- W2291127446 cites W1991667458 @default.
- W2291127446 cites W1997545217 @default.
- W2291127446 cites W1997573797 @default.
- W2291127446 cites W2001839857 @default.
- W2291127446 cites W2002405291 @default.
- W2291127446 cites W2003268550 @default.
- W2291127446 cites W2009268549 @default.
- W2291127446 cites W2015880797 @default.
- W2291127446 cites W2018590585 @default.
- W2291127446 cites W2019981251 @default.
- W2291127446 cites W2024007533 @default.
- W2291127446 cites W2024157594 @default.
- W2291127446 cites W2028103496 @default.
- W2291127446 cites W2032226342 @default.
- W2291127446 cites W2032923748 @default.
- W2291127446 cites W2034243532 @default.
- W2291127446 cites W2037091248 @default.
- W2291127446 cites W2037498239 @default.
- W2291127446 cites W2042703563 @default.
- W2291127446 cites W2045294557 @default.
- W2291127446 cites W2045393342 @default.
- W2291127446 cites W2051271640 @default.
- W2291127446 cites W2053642664 @default.
- W2291127446 cites W2054574591 @default.
- W2291127446 cites W2056562706 @default.
- W2291127446 cites W2058915131 @default.
- W2291127446 cites W2061489280 @default.
- W2291127446 cites W2061801122 @default.
- W2291127446 cites W2062129585 @default.
- W2291127446 cites W2066046368 @default.
- W2291127446 cites W2067941404 @default.
- W2291127446 cites W2070867404 @default.
- W2291127446 cites W2071204626 @default.
- W2291127446 cites W2071800578 @default.
- W2291127446 cites W2074984691 @default.
- W2291127446 cites W2076398537 @default.
- W2291127446 cites W2076879979 @default.
- W2291127446 cites W2079436612 @default.
- W2291127446 cites W2082385350 @default.
- W2291127446 cites W2085966273 @default.
- W2291127446 cites W2086336729 @default.
- W2291127446 cites W2087051857 @default.
- W2291127446 cites W2087661061 @default.
- W2291127446 cites W2089160912 @default.
- W2291127446 cites W2089564101 @default.
- W2291127446 cites W2093458621 @default.
- W2291127446 cites W2094481836 @default.
- W2291127446 cites W2096942889 @default.
- W2291127446 cites W2098524560 @default.
- W2291127446 cites W2100908704 @default.
- W2291127446 cites W2103599338 @default.
- W2291127446 cites W2104161807 @default.
- W2291127446 cites W2110298642 @default.
- W2291127446 cites W2113790486 @default.
- W2291127446 cites W2114196051 @default.
- W2291127446 cites W2115413471 @default.
- W2291127446 cites W2115552120 @default.
- W2291127446 cites W2117856769 @default.
- W2291127446 cites W2121831625 @default.
- W2291127446 cites W2126136513 @default.
- W2291127446 cites W2129974599 @default.
- W2291127446 cites W2130188771 @default.
- W2291127446 cites W2134123172 @default.
- W2291127446 cites W2134655841 @default.
- W2291127446 cites W2136767673 @default.
- W2291127446 cites W2139881089 @default.
- W2291127446 cites W2145215681 @default.
- W2291127446 cites W2147499591 @default.
- W2291127446 cites W2161616234 @default.
- W2291127446 cites W2164076416 @default.
- W2291127446 cites W2166254397 @default.
- W2291127446 cites W2188300109 @default.
- W2291127446 cites W2215622313 @default.
- W2291127446 cites W2216783520 @default.
- W2291127446 cites W2278874443 @default.
- W2291127446 cites W2313652006 @default.
- W2291127446 cites W2318979264 @default.