Matches in SemOpenAlex for { <https://semopenalex.org/work/W3003422857> ?p ?o ?g. }
- W3003422857 endingPage "2003" @default.
- W3003422857 startingPage "1997" @default.
- W3003422857 abstract "Aripiprazole (APZ) is a highly polymorphic chemical compound with nine structurally characterized modifications. Using the method of molecular Voronoi–Dirichlet (VD) polyhedra and the k–Φ criterion, we showed that each of the APZ polymorphs is characterized by unique combinations of types of intra- and intermolecular noncovalent contacts. Descriptors of the three-dimensional geometric image of an interatomic interaction of any kind were calculated to quantitatively characterize crystal structures of all the available APZ polymorphs. The identification of differences in interatomic interactions in polymorphic modifications of APZ is important mainly for the pharmaceutical industry (drugs design), as well as for fundamental science to establish the desired relationship between observed types of interactions and certain features of polymorphic modifications, such as relative stability or physicochemical properties. A comparison of calculations performed using molecular VD polyhedra and Hirshfeld surface approach highlights the importance of interactions with low partial contributions for distinguishing polymorphs." @default.
- W3003422857 created "2020-02-07" @default.
- W3003422857 creator A5008411883 @default.
- W3003422857 creator A5033449024 @default.
- W3003422857 date "2020-01-31" @default.
- W3003422857 modified "2023-10-15" @default.
- W3003422857 title "Application of the Method of Molecular Voronoi–Dirichlet Polyhedra for Analysis of Noncovalent Interactions in Aripiprazole Polymorphs" @default.
- W3003422857 cites W1968886876 @default.
- W3003422857 cites W1976069212 @default.
- W3003422857 cites W1978633893 @default.
- W3003422857 cites W1983530327 @default.
- W3003422857 cites W1990106519 @default.
- W3003422857 cites W1993293663 @default.
- W3003422857 cites W1999992136 @default.
- W3003422857 cites W2012216418 @default.
- W3003422857 cites W2012488984 @default.
- W3003422857 cites W2020863196 @default.
- W3003422857 cites W2021459288 @default.
- W3003422857 cites W2047847322 @default.
- W3003422857 cites W2050379502 @default.
- W3003422857 cites W2062841340 @default.
- W3003422857 cites W2063853371 @default.
- W3003422857 cites W2074350450 @default.
- W3003422857 cites W2119060556 @default.
- W3003422857 cites W2150301164 @default.
- W3003422857 cites W2165909522 @default.
- W3003422857 cites W2236048029 @default.
- W3003422857 cites W2319220698 @default.
- W3003422857 cites W2319902168 @default.
- W3003422857 cites W2325693132 @default.
- W3003422857 cites W2504714975 @default.
- W3003422857 cites W2512345388 @default.
- W3003422857 cites W2795005243 @default.
- W3003422857 cites W4211092600 @default.
- W3003422857 doi "https://doi.org/10.1021/acs.cgd.9b01645" @default.
- W3003422857 hasPublicationYear "2020" @default.
- W3003422857 type Work @default.
- W3003422857 sameAs 3003422857 @default.
- W3003422857 citedByCount "21" @default.
- W3003422857 countsByYear W30034228572020 @default.
- W3003422857 countsByYear W30034228572021 @default.
- W3003422857 countsByYear W30034228572022 @default.
- W3003422857 countsByYear W30034228572023 @default.
- W3003422857 crossrefType "journal-article" @default.
- W3003422857 hasAuthorship W3003422857A5008411883 @default.
- W3003422857 hasAuthorship W3003422857A5033449024 @default.
- W3003422857 hasConcept C104317684 @default.
- W3003422857 hasConcept C112887158 @default.
- W3003422857 hasConcept C114614502 @default.
- W3003422857 hasConcept C135763542 @default.
- W3003422857 hasConcept C137277065 @default.
- W3003422857 hasConcept C147597530 @default.
- W3003422857 hasConcept C149737253 @default.
- W3003422857 hasConcept C166950319 @default.
- W3003422857 hasConcept C178790620 @default.
- W3003422857 hasConcept C185592680 @default.
- W3003422857 hasConcept C24881265 @default.
- W3003422857 hasConcept C2524010 @default.
- W3003422857 hasConcept C32909587 @default.
- W3003422857 hasConcept C33923547 @default.
- W3003422857 hasConcept C54829058 @default.
- W3003422857 hasConcept C55493867 @default.
- W3003422857 hasConcept C8010536 @default.
- W3003422857 hasConceptScore W3003422857C104317684 @default.
- W3003422857 hasConceptScore W3003422857C112887158 @default.
- W3003422857 hasConceptScore W3003422857C114614502 @default.
- W3003422857 hasConceptScore W3003422857C135763542 @default.
- W3003422857 hasConceptScore W3003422857C137277065 @default.
- W3003422857 hasConceptScore W3003422857C147597530 @default.
- W3003422857 hasConceptScore W3003422857C149737253 @default.
- W3003422857 hasConceptScore W3003422857C166950319 @default.
- W3003422857 hasConceptScore W3003422857C178790620 @default.
- W3003422857 hasConceptScore W3003422857C185592680 @default.
- W3003422857 hasConceptScore W3003422857C24881265 @default.
- W3003422857 hasConceptScore W3003422857C2524010 @default.
- W3003422857 hasConceptScore W3003422857C32909587 @default.
- W3003422857 hasConceptScore W3003422857C33923547 @default.
- W3003422857 hasConceptScore W3003422857C54829058 @default.
- W3003422857 hasConceptScore W3003422857C55493867 @default.
- W3003422857 hasConceptScore W3003422857C8010536 @default.
- W3003422857 hasFunder F4320327494 @default.
- W3003422857 hasIssue "3" @default.
- W3003422857 hasLocation W30034228571 @default.
- W3003422857 hasOpenAccess W3003422857 @default.
- W3003422857 hasPrimaryLocation W30034228571 @default.
- W3003422857 hasRelatedWork W1996756924 @default.
- W3003422857 hasRelatedWork W2012216418 @default.
- W3003422857 hasRelatedWork W2056415788 @default.
- W3003422857 hasRelatedWork W2065462121 @default.
- W3003422857 hasRelatedWork W2144401427 @default.
- W3003422857 hasRelatedWork W2949334178 @default.
- W3003422857 hasRelatedWork W4224994965 @default.
- W3003422857 hasRelatedWork W4293064214 @default.
- W3003422857 hasRelatedWork W4300860780 @default.
- W3003422857 hasRelatedWork W2530896576 @default.
- W3003422857 hasVolume "20" @default.
- W3003422857 isParatext "false" @default.
- W3003422857 isRetracted "false" @default.