Matches in SemOpenAlex for { <https://semopenalex.org/work/W2900484719> ?p ?o ?g. }
- W2900484719 endingPage "134" @default.
- W2900484719 startingPage "121" @default.
- W2900484719 abstract "Computational approaches are increasingly used to predict toxicity due, in part, to pressures to find alternatives to animal testing. Read-across is the new paradigm which aims to predict toxicity by identifying similar, data rich, source compounds. This assumes that similar molecules tend to exhibit similar activities i.e. molecular similarity is integral to read-across. Various of molecular fingerprints and similarity measures may be used to calculate molecular similarity. This study investigated the value and concordance of the Tanimoto similarity values calculated using six widely used fingerprints within six toxicological datasets. There was considerable variability in the similarity values calculated from the various molecular fingerprints for diverse compounds, although they were reasonably concordant for homologous series acting via a common mechanism. The results suggest generic fingerprint-derived similarities are likely to be optimally predictive for local datasets, i.e. following sub-categorisation. Thus, for read-across, generic fingerprint-derived similarities are likely to be most predictive after chemicals are placed into categories (or groups), then similarity is calculated within those categories, rather than for a whole chemically diverse dataset." @default.
- W2900484719 created "2018-11-29" @default.
- W2900484719 creator A5002877866 @default.
- W2900484719 creator A5035174753 @default.
- W2900484719 creator A5035541912 @default.
- W2900484719 creator A5044075715 @default.
- W2900484719 creator A5049809721 @default.
- W2900484719 creator A5054905346 @default.
- W2900484719 creator A5061771394 @default.
- W2900484719 creator A5075660281 @default.
- W2900484719 creator A5077490368 @default.
- W2900484719 creator A5084970371 @default.
- W2900484719 date "2019-02-01" @default.
- W2900484719 modified "2023-10-15" @default.
- W2900484719 title "Molecular fingerprint-derived similarity measures for toxicological read-across: Recommendations for optimal use" @default.
- W2900484719 cites W1963917497 @default.
- W2900484719 cites W1967119647 @default.
- W2900484719 cites W1976691063 @default.
- W2900484719 cites W1981230109 @default.
- W2900484719 cites W1983478747 @default.
- W2900484719 cites W1988037271 @default.
- W2900484719 cites W1990696547 @default.
- W2900484719 cites W2006575776 @default.
- W2900484719 cites W2012536183 @default.
- W2900484719 cites W2019585667 @default.
- W2900484719 cites W2025556769 @default.
- W2900484719 cites W2042007894 @default.
- W2900484719 cites W2060097376 @default.
- W2900484719 cites W2062556965 @default.
- W2900484719 cites W2064576005 @default.
- W2900484719 cites W2071789183 @default.
- W2900484719 cites W2076938186 @default.
- W2900484719 cites W2090188030 @default.
- W2900484719 cites W2091515885 @default.
- W2900484719 cites W2092086301 @default.
- W2900484719 cites W2092982491 @default.
- W2900484719 cites W2093737637 @default.
- W2900484719 cites W2094493457 @default.
- W2900484719 cites W2096729078 @default.
- W2900484719 cites W2112415299 @default.
- W2900484719 cites W2114116884 @default.
- W2900484719 cites W2151697120 @default.
- W2900484719 cites W2152932486 @default.
- W2900484719 cites W2156077095 @default.
- W2900484719 cites W2160114756 @default.
- W2900484719 cites W2185490624 @default.
- W2900484719 cites W2267302592 @default.
- W2900484719 cites W2317467438 @default.
- W2900484719 cites W2319741579 @default.
- W2900484719 cites W2320034101 @default.
- W2900484719 cites W2346032794 @default.
- W2900484719 cites W2412446857 @default.
- W2900484719 cites W2464316836 @default.
- W2900484719 cites W2473190403 @default.
- W2900484719 cites W2493913768 @default.
- W2900484719 cites W2522646202 @default.
- W2900484719 cites W2552806728 @default.
- W2900484719 cites W2556565355 @default.
- W2900484719 cites W2598406634 @default.
- W2900484719 cites W2610955819 @default.
- W2900484719 cites W2619737194 @default.
- W2900484719 cites W2628705122 @default.
- W2900484719 cites W265312277 @default.
- W2900484719 cites W2765630448 @default.
- W2900484719 cites W2797136488 @default.
- W2900484719 cites W2806715130 @default.
- W2900484719 cites W2822962393 @default.
- W2900484719 cites W2883868267 @default.
- W2900484719 cites W4248448792 @default.
- W2900484719 doi "https://doi.org/10.1016/j.yrtph.2018.11.002" @default.
- W2900484719 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30468762" @default.
- W2900484719 hasPublicationYear "2019" @default.
- W2900484719 type Work @default.
- W2900484719 sameAs 2900484719 @default.
- W2900484719 citedByCount "48" @default.
- W2900484719 countsByYear W29004847192019 @default.
- W2900484719 countsByYear W29004847192020 @default.
- W2900484719 countsByYear W29004847192021 @default.
- W2900484719 countsByYear W29004847192022 @default.
- W2900484719 countsByYear W29004847192023 @default.
- W2900484719 crossrefType "journal-article" @default.
- W2900484719 hasAuthorship W2900484719A5002877866 @default.
- W2900484719 hasAuthorship W2900484719A5035174753 @default.
- W2900484719 hasAuthorship W2900484719A5035541912 @default.
- W2900484719 hasAuthorship W2900484719A5044075715 @default.
- W2900484719 hasAuthorship W2900484719A5049809721 @default.
- W2900484719 hasAuthorship W2900484719A5054905346 @default.
- W2900484719 hasAuthorship W2900484719A5061771394 @default.
- W2900484719 hasAuthorship W2900484719A5075660281 @default.
- W2900484719 hasAuthorship W2900484719A5077490368 @default.
- W2900484719 hasAuthorship W2900484719A5084970371 @default.
- W2900484719 hasBestOaLocation W29004847192 @default.
- W2900484719 hasConcept C103278499 @default.
- W2900484719 hasConcept C115961682 @default.
- W2900484719 hasConcept C119857082 @default.
- W2900484719 hasConcept C124101348 @default.
- W2900484719 hasConcept C153180895 @default.
- W2900484719 hasConcept C154945302 @default.