FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2090846279> ?p ?o ?g. }

• W2090846279 endingPage "987" @default.
• W2090846279 startingPage "981" @default.
• W2090846279 abstract "QSPR studies, using scores of SciTegic’s extended connectivity fingerprint as raw descriptors, were extended to the prediction of melting points and aqueous solubility of organic compounds. Robust partial least-squares models were developed that perform as well as the best published QSPR models for structurally diverse organic compounds. Satisfactory performance of the QSPR models indicates that the scores of extended connectivity fingerprint are high performance molecular descriptors for QSAR/QSPR studies. Performance of the fingerprint-based descriptors is further validated by the satisfactory prediction of aqueous solubility of nearly 1300 organic compounds (squared correlation coefficient of 0.83 and RMSE of 0.85 log unit) with Yalkowsky’s general solubility equation using both calculated melting points and calculated octanol−water partition coefficients. It demonstrates for the first time that it is feasible to predict aqueous solubility of structurally diverse organic compounds with the general solubility equation using both the calculated melting points and the partition coefficients." @default.
• W2090846279 created "2016-06-24" @default.
• W2090846279 creator A5021035771 @default.
• W2090846279 creator A5028514564 @default.
• W2090846279 creator A5068164786 @default.
• W2090846279 date "2008-05-01" @default.
• W2090846279 modified "2023-10-17" @default.
• W2090846279 title "Scores of Extended Connectivity Fingerprint as Descriptors in QSPR Study of Melting Point and Aqueous Solubility" @default.
• W2090846279 cites W1983938727 @default.
• W2090846279 cites W1995158051 @default.
• W2090846279 cites W2010304681 @default.
• W2090846279 cites W2013894207 @default.
• W2090846279 cites W2025897779 @default.
• W2090846279 cites W2034151123 @default.
• W2090846279 cites W2041392558 @default.
• W2090846279 cites W2055800653 @default.
• W2090846279 cites W2059710963 @default.
• W2090846279 cites W2062536539 @default.
• W2090846279 cites W2063060349 @default.
• W2090846279 cites W2063577652 @default.
• W2090846279 cites W2074200087 @default.
• W2090846279 cites W2077484885 @default.
• W2090846279 cites W2080922998 @default.
• W2090846279 cites W2082291447 @default.
• W2090846279 cites W2089709430 @default.
• W2090846279 cites W2094836090 @default.
• W2090846279 cites W2099014892 @default.
• W2090846279 cites W2105776953 @default.
• W2090846279 cites W2109978476 @default.
• W2090846279 cites W2112912103 @default.
• W2090846279 cites W2115758667 @default.
• W2090846279 cites W2132450507 @default.
• W2090846279 cites W2174230067 @default.
• W2090846279 cites W2217436801 @default.
• W2090846279 cites W2327127510 @default.
• W2090846279 cites W3126298030 @default.
• W2090846279 doi "https://doi.org/10.1021/ci800024c" @default.
• W2090846279 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18465850" @default.
• W2090846279 hasPublicationYear "2008" @default.
• W2090846279 type Work @default.
• W2090846279 sameAs 2090846279 @default.
• W2090846279 citedByCount "32" @default.
• W2090846279 countsByYear W20908462792012 @default.
• W2090846279 countsByYear W20908462792014 @default.
• W2090846279 countsByYear W20908462792015 @default.
• W2090846279 countsByYear W20908462792017 @default.
• W2090846279 countsByYear W20908462792018 @default.
• W2090846279 countsByYear W20908462792019 @default.
• W2090846279 countsByYear W20908462792021 @default.
• W2090846279 countsByYear W20908462792022 @default.
• W2090846279 countsByYear W20908462792023 @default.
• W2090846279 crossrefType "journal-article" @default.
• W2090846279 hasAuthorship W2090846279A5021035771 @default.
• W2090846279 hasAuthorship W2090846279A5028514564 @default.
• W2090846279 hasAuthorship W2090846279A5068164786 @default.
• W2090846279 hasConcept C105795698 @default.
• W2090846279 hasConcept C121332964 @default.
• W2090846279 hasConcept C13530604 @default.
• W2090846279 hasConcept C154945302 @default.
• W2090846279 hasConcept C155574463 @default.
• W2090846279 hasConcept C164126121 @default.
• W2090846279 hasConcept C164923092 @default.
• W2090846279 hasConcept C178790620 @default.
• W2090846279 hasConcept C184651966 @default.
• W2090846279 hasConcept C185592680 @default.
• W2090846279 hasConcept C192552737 @default.
• W2090846279 hasConcept C22354355 @default.
• W2090846279 hasConcept C2776226600 @default.
• W2090846279 hasConcept C2777826928 @default.
• W2090846279 hasConcept C2780092901 @default.
• W2090846279 hasConcept C33923547 @default.
• W2090846279 hasConcept C41008148 @default.
• W2090846279 hasConcept C71240020 @default.
• W2090846279 hasConcept C97355855 @default.
• W2090846279 hasConceptScore W2090846279C105795698 @default.
• W2090846279 hasConceptScore W2090846279C121332964 @default.
• W2090846279 hasConceptScore W2090846279C13530604 @default.
• W2090846279 hasConceptScore W2090846279C154945302 @default.
• W2090846279 hasConceptScore W2090846279C155574463 @default.
• W2090846279 hasConceptScore W2090846279C164126121 @default.
• W2090846279 hasConceptScore W2090846279C164923092 @default.
• W2090846279 hasConceptScore W2090846279C178790620 @default.
• W2090846279 hasConceptScore W2090846279C184651966 @default.
• W2090846279 hasConceptScore W2090846279C185592680 @default.
• W2090846279 hasConceptScore W2090846279C192552737 @default.
• W2090846279 hasConceptScore W2090846279C22354355 @default.
• W2090846279 hasConceptScore W2090846279C2776226600 @default.
• W2090846279 hasConceptScore W2090846279C2777826928 @default.
• W2090846279 hasConceptScore W2090846279C2780092901 @default.
• W2090846279 hasConceptScore W2090846279C33923547 @default.
• W2090846279 hasConceptScore W2090846279C41008148 @default.
• W2090846279 hasConceptScore W2090846279C71240020 @default.
• W2090846279 hasConceptScore W2090846279C97355855 @default.
• W2090846279 hasIssue "5" @default.
• W2090846279 hasLocation W20908462791 @default.
• W2090846279 hasLocation W20908462792 @default.
• W2090846279 hasOpenAccess W2090846279 @default.
• W2090846279 hasPrimaryLocation W20908462791 @default.

• next