Pregled bibliografske jedinice broj: 39057
New topological substituent descriptors
New topological substituent descriptors // Book of abstracts / Graovac, Ante ; Plavšić, Dejan ; Pokrić, Biserka ; Smrečki, Vilko (ur.).
Zagreb: Institut Ruđer Bošković, 2000. str. 65-65 (poster, međunarodna recenzija, sažetak, znanstveni)
CROSBI ID: 39057 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
New topological substituent descriptors
Autori
Diudea, M. Mircea ; Šoškić, Milan ; Lerš, Nella ; Vikić-Topić, Dražen ; Plavšić, Dejan
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
Book of abstracts
/ Graovac, Ante ; Plavšić, Dejan ; Pokrić, Biserka ; Smrečki, Vilko - Zagreb : Institut Ruđer Bošković, 2000, 65-65
Skup
MATH/CHEM/COMP 2000, The 15th Dubrovnik International Course & Conference on the Interfaces Among Mathematics, Chemistry and Computer Sciences
Mjesto i datum
Dubrovnik, Hrvatska, 19.06.2000. - 24.06.2000
Vrsta sudjelovanja
Poster
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
molecular descriptor; QSAR/QSPR modeling
Sažetak
Two new substituent descriptors, x_LDS(i) and W_s, based on the LDS and L^3W layer matrices, respectively, are put forward. The usability of the descriptors as predictor variables in QSAR/QSPR (quantitative structure-activity/property relationship) modeling is investigated on a set of triazine derivatives being the important group of PS II herbicides. The testing has revealed that it is possible by means of x_LDS(i) and W_s to build high quality regression models of herbicidal potency of the triazines.
Izvorni jezik
Engleski
Znanstvena područja
Kemija, Biologija
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb
