Matches in SemOpenAlex for { <https://semopenalex.org/work/W2360752134> ?p ?o ?g. }
Showing items 1 to 81 of
81
with 100 items per page.
- W2360752134 abstract "Objective: To predict the relationship between the toxicity and the structural parameters of chloro-Arenes drugs,a 3D-QSAR(three dimensional quantitative structure-activity relationship) model was established.Methods: By determining their lowest energy conformation,molecules are aligned according to one specific rule and the scope of the molecular field is defined around the aligned molecules.The characters of the molecule field such as the electrostatic field energy,steric field energy and also the field energy of hydrophobic region are calculated.Then Partial Least Square(PLS) method is exploited to analyze the relationship between the toxicity of compounds and characters of the molecular field and finally Comparative Molecular Similarity Indices Analysis(CoMSIA) model was built.Results:The cross-validated q~2 of the model is 0.702 and the cross-validated r~2 is 0.947,so the predictive abilities of this model is considerable.Conclusion:This model has a good predictive ability.To decrease the negative charge of substitutent in the para-position of methyl or decrease the hydrophilic property of substitutent in the para-position,meta-position and ortho-position of methyl can decrease the toxicity." @default.
- W2360752134 created "2016-06-24" @default.
- W2360752134 creator A5051759581 @default.
- W2360752134 date "2006-01-01" @default.
- W2360752134 modified "2023-09-23" @default.
- W2360752134 title "3D-QSAR Discovery of Toxicity and Chemical Parameters of chloro-Arenes Drugs" @default.
- W2360752134 hasPublicationYear "2006" @default.
- W2360752134 type Work @default.
- W2360752134 sameAs 2360752134 @default.
- W2360752134 citedByCount "0" @default.
- W2360752134 crossrefType "journal-article" @default.
- W2360752134 hasAuthorship W2360752134A5051759581 @default.
- W2360752134 hasConcept C10138342 @default.
- W2360752134 hasConcept C10803110 @default.
- W2360752134 hasConcept C12892243 @default.
- W2360752134 hasConcept C147597530 @default.
- W2360752134 hasConcept C154945302 @default.
- W2360752134 hasConcept C162324750 @default.
- W2360752134 hasConcept C164126121 @default.
- W2360752134 hasConcept C178790620 @default.
- W2360752134 hasConcept C178910836 @default.
- W2360752134 hasConcept C185592680 @default.
- W2360752134 hasConcept C186060115 @default.
- W2360752134 hasConcept C198082294 @default.
- W2360752134 hasConcept C201194858 @default.
- W2360752134 hasConcept C202444582 @default.
- W2360752134 hasConcept C21951064 @default.
- W2360752134 hasConcept C32909587 @default.
- W2360752134 hasConcept C33923547 @default.
- W2360752134 hasConcept C41008148 @default.
- W2360752134 hasConcept C71240020 @default.
- W2360752134 hasConcept C86803240 @default.
- W2360752134 hasConcept C9652623 @default.
- W2360752134 hasConceptScore W2360752134C10138342 @default.
- W2360752134 hasConceptScore W2360752134C10803110 @default.
- W2360752134 hasConceptScore W2360752134C12892243 @default.
- W2360752134 hasConceptScore W2360752134C147597530 @default.
- W2360752134 hasConceptScore W2360752134C154945302 @default.
- W2360752134 hasConceptScore W2360752134C162324750 @default.
- W2360752134 hasConceptScore W2360752134C164126121 @default.
- W2360752134 hasConceptScore W2360752134C178790620 @default.
- W2360752134 hasConceptScore W2360752134C178910836 @default.
- W2360752134 hasConceptScore W2360752134C185592680 @default.
- W2360752134 hasConceptScore W2360752134C186060115 @default.
- W2360752134 hasConceptScore W2360752134C198082294 @default.
- W2360752134 hasConceptScore W2360752134C201194858 @default.
- W2360752134 hasConceptScore W2360752134C202444582 @default.
- W2360752134 hasConceptScore W2360752134C21951064 @default.
- W2360752134 hasConceptScore W2360752134C32909587 @default.
- W2360752134 hasConceptScore W2360752134C33923547 @default.
- W2360752134 hasConceptScore W2360752134C41008148 @default.
- W2360752134 hasConceptScore W2360752134C71240020 @default.
- W2360752134 hasConceptScore W2360752134C86803240 @default.
- W2360752134 hasConceptScore W2360752134C9652623 @default.
- W2360752134 hasLocation W23607521341 @default.
- W2360752134 hasOpenAccess W2360752134 @default.
- W2360752134 hasPrimaryLocation W23607521341 @default.
- W2360752134 hasRelatedWork W1970183107 @default.
- W2360752134 hasRelatedWork W1984277896 @default.
- W2360752134 hasRelatedWork W1994195359 @default.
- W2360752134 hasRelatedWork W2007853133 @default.
- W2360752134 hasRelatedWork W2038923939 @default.
- W2360752134 hasRelatedWork W2065771604 @default.
- W2360752134 hasRelatedWork W2093749853 @default.
- W2360752134 hasRelatedWork W2095556681 @default.
- W2360752134 hasRelatedWork W2126923147 @default.
- W2360752134 hasRelatedWork W2144736975 @default.
- W2360752134 hasRelatedWork W2168413294 @default.
- W2360752134 hasRelatedWork W2188591622 @default.
- W2360752134 hasRelatedWork W2365720190 @default.
- W2360752134 hasRelatedWork W2405370693 @default.
- W2360752134 hasRelatedWork W2417818416 @default.
- W2360752134 hasRelatedWork W3141940419 @default.
- W2360752134 hasRelatedWork W3144023249 @default.
- W2360752134 hasRelatedWork W3150205483 @default.
- W2360752134 hasRelatedWork W2184227533 @default.
- W2360752134 hasRelatedWork W2185339125 @default.
- W2360752134 isParatext "false" @default.
- W2360752134 isRetracted "false" @default.
- W2360752134 magId "2360752134" @default.
- W2360752134 workType "article" @default.