Matches in SemOpenAlex for { <https://semopenalex.org/work/W2401292379> ?p ?o ?g. }
- W2401292379 endingPage "017103" @default.
- W2401292379 startingPage "017103" @default.
- W2401292379 abstract "In this article, a database of blood:air and fat:air partition coefficients (λ b:a and λ f:a) is reported for estimating 1678 volatile organic compounds recently reported to appear in the volatilome of the healthy human. For this purpose, a quantitative structure-property relationship (QSPR) approach was applied and a novel method for Henry's law constants prediction developed. A random forest model based on Molecular Operating Environment 2D (MOE2D) descriptors based on 2619 literature-reported Henry's constant values was built. The calculated Henry's law constants correlate very well (R(2) test = 0.967) with the available experimental data. Blood:air and fat:air partition coefficients were calculated according to the method proposed by Poulin and Krishnan using the estimated Henry's constant values. The obtained values correlate reasonably well with the experimentally determined ones for a test set of 90 VOCs (R(2) = 0.95). The provided data aim to fill in the literature data gap and further assist the interpretation of results in studies of the human volatilome." @default.
- W2401292379 created "2016-06-24" @default.
- W2401292379 creator A5009714717 @default.
- W2401292379 creator A5010251907 @default.
- W2401292379 creator A5028405436 @default.
- W2401292379 creator A5031552625 @default.
- W2401292379 creator A5069465132 @default.
- W2401292379 creator A5078834012 @default.
- W2401292379 date "2016-01-27" @default.
- W2401292379 modified "2023-10-16" @default.
- W2401292379 title "Prediction of blood:air and fat:air partition coefficients of volatile organic compounds for the interpretation of data in breath gas analysis" @default.
- W2401292379 cites W1449045508 @default.
- W2401292379 cites W1964994263 @default.
- W2401292379 cites W1968969305 @default.
- W2401292379 cites W1976892175 @default.
- W2401292379 cites W1980056381 @default.
- W2401292379 cites W1984541876 @default.
- W2401292379 cites W1988195734 @default.
- W2401292379 cites W1990762022 @default.
- W2401292379 cites W1994125058 @default.
- W2401292379 cites W1997306366 @default.
- W2401292379 cites W2000008299 @default.
- W2401292379 cites W2002101720 @default.
- W2401292379 cites W2007398856 @default.
- W2401292379 cites W2010304681 @default.
- W2401292379 cites W2010647616 @default.
- W2401292379 cites W2010853322 @default.
- W2401292379 cites W2013727035 @default.
- W2401292379 cites W2018428806 @default.
- W2401292379 cites W2030255922 @default.
- W2401292379 cites W2034149615 @default.
- W2401292379 cites W2035616341 @default.
- W2401292379 cites W2035995091 @default.
- W2401292379 cites W2036103055 @default.
- W2401292379 cites W2038552698 @default.
- W2401292379 cites W2040348432 @default.
- W2401292379 cites W2041546724 @default.
- W2401292379 cites W2043990744 @default.
- W2401292379 cites W2048611698 @default.
- W2401292379 cites W2051888369 @default.
- W2401292379 cites W2055360296 @default.
- W2401292379 cites W2060858263 @default.
- W2401292379 cites W2066246111 @default.
- W2401292379 cites W2081121778 @default.
- W2401292379 cites W2087563523 @default.
- W2401292379 cites W2090467197 @default.
- W2401292379 cites W2091263182 @default.
- W2401292379 cites W2091265129 @default.
- W2401292379 cites W2105052117 @default.
- W2401292379 cites W2106055476 @default.
- W2401292379 cites W2112005649 @default.
- W2401292379 cites W2132759637 @default.
- W2401292379 cites W2133539122 @default.
- W2401292379 cites W2142538954 @default.
- W2401292379 cites W2148168143 @default.
- W2401292379 cites W2148765323 @default.
- W2401292379 cites W2169678694 @default.
- W2401292379 cites W2314437871 @default.
- W2401292379 cites W2407586185 @default.
- W2401292379 cites W2911964244 @default.
- W2401292379 cites W3098586072 @default.
- W2401292379 cites W3106144910 @default.
- W2401292379 cites W378357407 @default.
- W2401292379 cites W4236097713 @default.
- W2401292379 cites W4247028203 @default.
- W2401292379 cites W44319099 @default.
- W2401292379 doi "https://doi.org/10.1088/1752-7155/10/1/017103" @default.
- W2401292379 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4957668" @default.
- W2401292379 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26815030" @default.
- W2401292379 hasPublicationYear "2016" @default.
- W2401292379 type Work @default.
- W2401292379 sameAs 2401292379 @default.
- W2401292379 citedByCount "13" @default.
- W2401292379 countsByYear W24012923792017 @default.
- W2401292379 countsByYear W24012923792019 @default.
- W2401292379 countsByYear W24012923792020 @default.
- W2401292379 countsByYear W24012923792022 @default.
- W2401292379 countsByYear W24012923792023 @default.
- W2401292379 crossrefType "journal-article" @default.
- W2401292379 hasAuthorship W2401292379A5009714717 @default.
- W2401292379 hasAuthorship W2401292379A5010251907 @default.
- W2401292379 hasAuthorship W2401292379A5028405436 @default.
- W2401292379 hasAuthorship W2401292379A5031552625 @default.
- W2401292379 hasAuthorship W2401292379A5069465132 @default.
- W2401292379 hasAuthorship W2401292379A5078834012 @default.
- W2401292379 hasBestOaLocation W24012923791 @default.
- W2401292379 hasConcept C105795698 @default.
- W2401292379 hasConcept C107872376 @default.
- W2401292379 hasConcept C114614502 @default.
- W2401292379 hasConcept C121332964 @default.
- W2401292379 hasConcept C164126121 @default.
- W2401292379 hasConcept C178790620 @default.
- W2401292379 hasConcept C185592680 @default.
- W2401292379 hasConcept C192552737 @default.
- W2401292379 hasConcept C199360897 @default.
- W2401292379 hasConcept C2778150766 @default.
- W2401292379 hasConcept C33923547 @default.
- W2401292379 hasConcept C41008148 @default.