Matches in SemOpenAlex for { <https://semopenalex.org/work/W2510169513> ?p ?o ?g. }
- W2510169513 endingPage "6681" @default.
- W2510169513 startingPage "6672" @default.
- W2510169513 abstract "Partial least-squares discriminant analysis (PLS-DA) and support vector machine (SVM) techniques were applied to develop a crystal structure predictor for binary AB compounds. Models were trained and validated on the basis of the classification of 706 AB compounds adopting the seven most common structure types (CsCl, NaCl, ZnS, CuAu, TlI, β-FeB, and NiAs), through data extracted from Pearson’s Crystal Data and ASM Alloy Phase Diagram Database. Out of 56 initial variables (descriptors based on elemental properties only), 31 were selected in as unbiased manner as possible through a procedure of forward selection and backward elimination, with the quality of the model evaluated by measuring the cluster resolution at each step. PLS-DA gave sensitivity of 96.5%, specificity of 66.0%, and accuracy of 77.1% for the validation set data, whereas SVM gave sensitivity of 94.2%, specificity of 92.7%, and accuracy of 93.2%, a significant improvement. Radii, electronegativity, and valence electrons, previously chosen i..." @default.
- W2510169513 created "2016-09-16" @default.
- W2510169513 creator A5013063533 @default.
- W2510169513 creator A5017376122 @default.
- W2510169513 creator A5074696645 @default.
- W2510169513 creator A5079064222 @default.
- W2510169513 date "2016-09-02" @default.
- W2510169513 modified "2023-10-16" @default.
- W2510169513 title "Classifying Crystal Structures of Binary Compounds AB through Cluster Resolution Feature Selection and Support Vector Machine Analysis" @default.
- W2510169513 cites W1538634562 @default.
- W2510169513 cites W1929543180 @default.
- W2510169513 cites W1964602735 @default.
- W2510169513 cites W1967309600 @default.
- W2510169513 cites W1972273299 @default.
- W2510169513 cites W1977053243 @default.
- W2510169513 cites W1979132333 @default.
- W2510169513 cites W1982598895 @default.
- W2510169513 cites W1985010001 @default.
- W2510169513 cites W1993976060 @default.
- W2510169513 cites W2002507631 @default.
- W2510169513 cites W2004807536 @default.
- W2510169513 cites W2016587795 @default.
- W2510169513 cites W2032865993 @default.
- W2510169513 cites W2035352360 @default.
- W2510169513 cites W2038552152 @default.
- W2510169513 cites W2038985600 @default.
- W2510169513 cites W2040360808 @default.
- W2510169513 cites W2045001472 @default.
- W2510169513 cites W2050855422 @default.
- W2510169513 cites W2056313388 @default.
- W2510169513 cites W2074157398 @default.
- W2510169513 cites W2075878644 @default.
- W2510169513 cites W2082711890 @default.
- W2510169513 cites W2087347434 @default.
- W2510169513 cites W2093404056 @default.
- W2510169513 cites W2098722265 @default.
- W2510169513 cites W2108921478 @default.
- W2510169513 cites W2109688768 @default.
- W2510169513 cites W2123306226 @default.
- W2510169513 cites W2124974356 @default.
- W2510169513 cites W2138060751 @default.
- W2510169513 cites W2140452226 @default.
- W2510169513 cites W2141432903 @default.
- W2510169513 cites W2160179547 @default.
- W2510169513 cites W2162476527 @default.
- W2510169513 cites W2164583936 @default.
- W2510169513 cites W2320877891 @default.
- W2510169513 cites W2322354531 @default.
- W2510169513 cites W2330266625 @default.
- W2510169513 cites W2500541799 @default.
- W2510169513 cites W2950712434 @default.
- W2510169513 cites W4249528159 @default.
- W2510169513 doi "https://doi.org/10.1021/acs.chemmater.6b02905" @default.
- W2510169513 hasPublicationYear "2016" @default.
- W2510169513 type Work @default.
- W2510169513 sameAs 2510169513 @default.
- W2510169513 citedByCount "72" @default.
- W2510169513 countsByYear W25101695132017 @default.
- W2510169513 countsByYear W25101695132018 @default.
- W2510169513 countsByYear W25101695132019 @default.
- W2510169513 countsByYear W25101695132020 @default.
- W2510169513 countsByYear W25101695132021 @default.
- W2510169513 countsByYear W25101695132022 @default.
- W2510169513 countsByYear W25101695132023 @default.
- W2510169513 crossrefType "journal-article" @default.
- W2510169513 hasAuthorship W2510169513A5013063533 @default.
- W2510169513 hasAuthorship W2510169513A5017376122 @default.
- W2510169513 hasAuthorship W2510169513A5074696645 @default.
- W2510169513 hasAuthorship W2510169513A5079064222 @default.
- W2510169513 hasBestOaLocation W25101695131 @default.
- W2510169513 hasConcept C115624301 @default.
- W2510169513 hasConcept C12267149 @default.
- W2510169513 hasConcept C124101348 @default.
- W2510169513 hasConcept C138268822 @default.
- W2510169513 hasConcept C138885662 @default.
- W2510169513 hasConcept C148483581 @default.
- W2510169513 hasConcept C153180895 @default.
- W2510169513 hasConcept C154945302 @default.
- W2510169513 hasConcept C164866538 @default.
- W2510169513 hasConcept C185592680 @default.
- W2510169513 hasConcept C192562407 @default.
- W2510169513 hasConcept C199360897 @default.
- W2510169513 hasConcept C2776401178 @default.
- W2510169513 hasConcept C2781285689 @default.
- W2510169513 hasConcept C33923547 @default.
- W2510169513 hasConcept C41008148 @default.
- W2510169513 hasConcept C41895202 @default.
- W2510169513 hasConcept C48372109 @default.
- W2510169513 hasConcept C8010536 @default.
- W2510169513 hasConcept C81917197 @default.
- W2510169513 hasConcept C94375191 @default.
- W2510169513 hasConceptScore W2510169513C115624301 @default.
- W2510169513 hasConceptScore W2510169513C12267149 @default.
- W2510169513 hasConceptScore W2510169513C124101348 @default.
- W2510169513 hasConceptScore W2510169513C138268822 @default.
- W2510169513 hasConceptScore W2510169513C138885662 @default.
- W2510169513 hasConceptScore W2510169513C148483581 @default.
- W2510169513 hasConceptScore W2510169513C153180895 @default.