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Pregled bibliografske jedinice broj: 559485

Časopis

Autori: Vukičević, Damir
Naslov: Chor Coefficient – Measuring Correlation in Chemistry
( Chor Coefficient – Measuring Correlation in Chemistry )
Izvornik: MATCH : communications in mathematical and in computer chemistry (0340-6253) 65 (2011); 365-382
Vrsta rada: članak
Ključne riječi: correlation; chor coefficient
( correlation; chor coefficient )
Sažetak:
QSAR and QSPR researchers try to create models that are able to predict chemical properties or activities of chemical compounds. Very often Pearson product-moment correlation coefficient is used as the measure of fitting ability of such models. We argue that in many cases this is not realistic measure of model quality and propose an alternative measure: chor (chemical correlation) coefficient c r . We illustrate this on the examples of models described in published papers and on the data sets proposed by International Academy of Mathematical Chemistry. Moreover, it is shown that all algorithms for optimization of 2 r are applicable for optimization of 2 c r with minimal programming interventions.
Projekt / tema: 177-0000000-0884, 037-0000000-2779
Izvorni jezik: eng
Rad je indeksiran u
bazama podataka:
Scopus
SCI-EXP, SSCI i/ili A&HCI
Science Citation Index Expanded (SCI-EXP) (sastavni dio Web of Science Core Collectiona)
Kategorija: Znanstveni
Znanstvena područja:
Matematika,Kemija
URL cjelovitog teksta:
Časopis izlazi u samo elektroničkom izdanju: NE
Google Scholar: Chor Coefficient – Measuring Correlation in Chemistry
Upisao u CROSBI: vukicevi@pmfst.hr (vukicevi@pmfst.hr), 28. Stu. 2011. u 01:39 sati



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