Pregled bibliografske jedinice broj: 192563
QSAR modeling of aquatic toxicity of benzene derivatives
QSAR modeling of aquatic toxicity of benzene derivatives // 9th FECS conference and 2nd SFC meeting on chemistry and the environment: Behaviour of chemicals in the environment / Garrigues, Philippe ; Donard, Olivier (ur.).
Bordeaux: Universite Bordeaux 1, 2004. str. 67-68 (pozvano predavanje, međunarodna recenzija, sažetak, znanstveni)
CROSBI ID: 192563 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
QSAR modeling of aquatic toxicity of benzene derivatives
Autori
Miličević, Ante ; Nikolić, Sonja ; Nenad, Trinajstić
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
9th FECS conference and 2nd SFC meeting on chemistry and the environment: Behaviour of chemicals in the environment
/ Garrigues, Philippe ; Donard, Olivier - Bordeaux : Universite Bordeaux 1, 2004, 67-68
Skup
9th FECS conference and 2nd SFC meeting on chemistry and the environment: Behaviour of chemicals in the environment
Mjesto i datum
Bordeaux, Francuska, 29.08.2004. - 01.09.2004
Vrsta sudjelovanja
Pozvano predavanje
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
QSAR modeling; aquatic toxicity; benzene derivatives; molecular descriptors
Sažetak
Acuatic toxicities of benzene derivatives in the fathead minnows were modeled. Experimental data are taken from the literature. The set of benzene derivatives consists of 69 molecules. Their descriptors were computed using standard computer program DRAGON. The models are obtained by our procedure CROMsel. We considered models with one, two, three and four descriptors. The obtained models are much simpler and more accurate then thosepreviously reported.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
