Pregled bibliografske jedinice broj: 14557
Modeling the aqueous solubility of aliphatic alcohols
Modeling the aqueous solubility of aliphatic alcohols // SAR & QSAR in environmental research, 9 (1998), 3-4; 117-126 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 14557 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Modeling the aqueous solubility of aliphatic alcohols
Autori
Nikolić, Sonja ; Trinajstić, Nenad
Izvornik
SAR & QSAR in environmental research (1062-936X) 9
(1998), 3-4;
117-126
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Aliphatic alcohols. Edge-connectivity indices. Vertex-connectivity indices. Non-ortho-gonal descriptors. Orthogonal descriptors. Structure-property modeling. Water solubility; Aliphatic alcohols. Edge-connectivity indices. Vertex-connectivity indices. Non-ortho-gonal descriptors. Orthogonal descriptors. Structure-property modeling. Water solubility
Sažetak
A comparison of several structure-properly models for predicting the solubility of aliphatic alcohols in water is presented. Models based on the valence vertex-connectivity indices are better than models based on weighted edge-connectivity indices or vertex-connectivity indices or parameters related to the molecular surface area. Models based on ordered orthogonalized descriptors are better than models based on non-orthogonalized or orthogonalized descriptors. The best structure-solubility model is obtained with ordered orthogonalized descriptors which include the OH group.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
- MEDLINE
