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Binary Substructure Descriptors for Organic Compounds

Kurt Varmuza
Wilhelm Demuth
Manfred Karlovits
Heinz Scsibrany

Puni tekst: engleski, pdf (133 KB) str. 141-149 preuzimanja: 898* citiraj
APA 6th Edition
Varmuza, K., Demuth, W., Karlovits, M. i Scsibrany, H. (2005). Binary Substructure Descriptors for Organic Compounds. Croatica Chemica Acta, 78 (2), 141-149. Preuzeto s https://hrcak.srce.hr/4
MLA 8th Edition
Varmuza, Kurt, et al. "Binary Substructure Descriptors for Organic Compounds." Croatica Chemica Acta, vol. 78, br. 2, 2005, str. 141-149. https://hrcak.srce.hr/4. Citirano 10.04.2020.
Chicago 17th Edition
Varmuza, Kurt, Wilhelm Demuth, Manfred Karlovits i Heinz Scsibrany. "Binary Substructure Descriptors for Organic Compounds." Croatica Chemica Acta 78, br. 2 (2005): 141-149. https://hrcak.srce.hr/4
Harvard
Varmuza, K., et al. (2005). 'Binary Substructure Descriptors for Organic Compounds', Croatica Chemica Acta, 78(2), str. 141-149. Preuzeto s: https://hrcak.srce.hr/4 (Datum pristupa: 10.04.2020.)
Vancouver
Varmuza K, Demuth W, Karlovits M, Scsibrany H. Binary Substructure Descriptors for Organic Compounds. Croatica Chemica Acta [Internet]. 2005 [pristupljeno 10.04.2020.];78(2):141-149. Dostupno na: https://hrcak.srce.hr/4
IEEE
K. Varmuza, W. Demuth, M. Karlovits i H. Scsibrany, "Binary Substructure Descriptors for Organic Compounds", Croatica Chemica Acta, vol.78, br. 2, str. 141-149, 2005. [Online]. Dostupno na: https://hrcak.srce.hr/4. [Citirano: 10.04.2020.]

Sažetak
Organic chemical structures are represented by binary vectors that contain information about presence or absence of 1365 substructures. The guiding ideas for selecting this set of substructures
are described and examples are given. Software SubMat has been developed for a fast and flexible computation of binary substructure descriptors from molecular structures. Examples from structure similarity searches demonstrate the performance of representing organic chemical structures by the described set of substructures.

Ključne riječi
chemical structure similarity; Tanimoto index; software SubMat

Hrčak ID: 4

URI
https://hrcak.srce.hr/4

[hrvatski]

Posjeta: 1.497 *