Matches in SemOpenAlex for { <https://semopenalex.org/work/W2128804517> ?p ?o ?g. }
Showing items 1 to 100 of
100
with 100 items per page.
- W2128804517 endingPage "404" @default.
- W2128804517 startingPage "400" @default.
- W2128804517 abstract "A quantitative structure-property relationship (QSPR) study based on multiple linear regression (MLR) and artificial neural network (ANN) techniques is carried out to investigate the retention time behavior of some pesticides on the DB-5ms fused-silica column in gas chromatography. Five descriptors selected in the MLR model are: first component WHIM index (E1v), highest eigenvalue n.7 of burden matrix / weighted by atomic van der waals volume (BEHv7); average connectivity index Chi-2 (X2a), 3D-MoRSE signal 23 weighted by atomic Sanderson electronegativity (MoR23m); and principal moments of inertia B (PMIB). A 5-5-1 ANN is also generated to investigate the retention behavior of described pesticides using the same descriptors MLR model as inputs. The statistical parameters derived from MLR and ANN for all molecules are: correlation coefficient (R)(MLR) = 0.929, standard errors (SE)(MLR) = 3.452, R(ANN) = 0.943, and SE(ANN) = 3.112. The mean of relative errors between the MLR and ANN calculated and the experimental values of the retention times for the prediction set are 13.8% and 9.04%, respectively. The correlation coefficient and standard error of ANN model compared with MLR models showed the superiority of ANNs over regression models. This is partly due to the fact that ANN considers the interaction between different parameters as well as nonlinear relation." @default.
- W2128804517 created "2016-06-24" @default.
- W2128804517 creator A5027286154 @default.
- W2128804517 creator A5031803194 @default.
- W2128804517 creator A5067084350 @default.
- W2128804517 date "2007-08-01" @default.
- W2128804517 modified "2023-09-26" @default.
- W2128804517 title "Quantitative Structure-Property Relationship Study of Retention Time of Some Pesticides in Gas Chromatography" @default.
- W2128804517 cites W1545231783 @default.
- W2128804517 cites W1968665806 @default.
- W2128804517 cites W1976828343 @default.
- W2128804517 cites W1982878001 @default.
- W2128804517 cites W1986881828 @default.
- W2128804517 cites W1989840966 @default.
- W2128804517 cites W1991319711 @default.
- W2128804517 cites W1991619291 @default.
- W2128804517 cites W1996078130 @default.
- W2128804517 cites W1998376605 @default.
- W2128804517 cites W1999509712 @default.
- W2128804517 cites W2021887823 @default.
- W2128804517 cites W2025449090 @default.
- W2128804517 cites W2026104930 @default.
- W2128804517 cites W2039885500 @default.
- W2128804517 cites W2045266386 @default.
- W2128804517 cites W2054412004 @default.
- W2128804517 cites W2076961140 @default.
- W2128804517 cites W2092166254 @default.
- W2128804517 cites W2121013494 @default.
- W2128804517 cites W2152629484 @default.
- W2128804517 doi "https://doi.org/10.1093/chromsci/45.7.400" @default.
- W2128804517 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17725865" @default.
- W2128804517 hasPublicationYear "2007" @default.
- W2128804517 type Work @default.
- W2128804517 sameAs 2128804517 @default.
- W2128804517 citedByCount "10" @default.
- W2128804517 countsByYear W21288045172012 @default.
- W2128804517 countsByYear W21288045172013 @default.
- W2128804517 countsByYear W21288045172015 @default.
- W2128804517 countsByYear W21288045172016 @default.
- W2128804517 countsByYear W21288045172017 @default.
- W2128804517 crossrefType "journal-article" @default.
- W2128804517 hasAuthorship W2128804517A5027286154 @default.
- W2128804517 hasAuthorship W2128804517A5031803194 @default.
- W2128804517 hasAuthorship W2128804517A5067084350 @default.
- W2128804517 hasConcept C105795698 @default.
- W2128804517 hasConcept C113196181 @default.
- W2128804517 hasConcept C154945302 @default.
- W2128804517 hasConcept C164126121 @default.
- W2128804517 hasConcept C164923092 @default.
- W2128804517 hasConcept C185592680 @default.
- W2128804517 hasConcept C186060115 @default.
- W2128804517 hasConcept C27438332 @default.
- W2128804517 hasConcept C2780092901 @default.
- W2128804517 hasConcept C33923547 @default.
- W2128804517 hasConcept C41008148 @default.
- W2128804517 hasConcept C43617362 @default.
- W2128804517 hasConcept C48921125 @default.
- W2128804517 hasConcept C50644808 @default.
- W2128804517 hasConcept C71240020 @default.
- W2128804517 hasConcept C74887250 @default.
- W2128804517 hasConcept C86803240 @default.
- W2128804517 hasConceptScore W2128804517C105795698 @default.
- W2128804517 hasConceptScore W2128804517C113196181 @default.
- W2128804517 hasConceptScore W2128804517C154945302 @default.
- W2128804517 hasConceptScore W2128804517C164126121 @default.
- W2128804517 hasConceptScore W2128804517C164923092 @default.
- W2128804517 hasConceptScore W2128804517C185592680 @default.
- W2128804517 hasConceptScore W2128804517C186060115 @default.
- W2128804517 hasConceptScore W2128804517C27438332 @default.
- W2128804517 hasConceptScore W2128804517C2780092901 @default.
- W2128804517 hasConceptScore W2128804517C33923547 @default.
- W2128804517 hasConceptScore W2128804517C41008148 @default.
- W2128804517 hasConceptScore W2128804517C43617362 @default.
- W2128804517 hasConceptScore W2128804517C48921125 @default.
- W2128804517 hasConceptScore W2128804517C50644808 @default.
- W2128804517 hasConceptScore W2128804517C71240020 @default.
- W2128804517 hasConceptScore W2128804517C74887250 @default.
- W2128804517 hasConceptScore W2128804517C86803240 @default.
- W2128804517 hasIssue "7" @default.
- W2128804517 hasLocation W21288045171 @default.
- W2128804517 hasLocation W21288045172 @default.
- W2128804517 hasOpenAccess W2128804517 @default.
- W2128804517 hasPrimaryLocation W21288045171 @default.
- W2128804517 hasRelatedWork W2021294504 @default.
- W2128804517 hasRelatedWork W2081571909 @default.
- W2128804517 hasRelatedWork W2369544151 @default.
- W2128804517 hasRelatedWork W2372734629 @default.
- W2128804517 hasRelatedWork W2392470965 @default.
- W2128804517 hasRelatedWork W2726828454 @default.
- W2128804517 hasRelatedWork W2761249143 @default.
- W2128804517 hasRelatedWork W2236211749 @default.
- W2128804517 hasRelatedWork W2555175067 @default.
- W2128804517 hasRelatedWork W2591978170 @default.
- W2128804517 hasVolume "45" @default.
- W2128804517 isParatext "false" @default.
- W2128804517 isRetracted "false" @default.
- W2128804517 magId "2128804517" @default.
- W2128804517 workType "article" @default.