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Pregled bibliografske jedinice broj: 75442

Predicting inhibition of microsomal p-hydroxylation of aniline by aliphatic alcohols: a QSAR approach based on the weighted path numbers


Amić, Dragan; Lučić, Bono, Nikolić, Sonja; Trinajstić, Nenad
Predicting inhibition of microsomal p-hydroxylation of aniline by aliphatic alcohols: a QSAR approach based on the weighted path numbers // Croatica chemica acta, 74 (2001), 2; 237-250 (međunarodna recenzija, članak, znanstveni)


Naslov
Predicting inhibition of microsomal p-hydroxylation of aniline by aliphatic alcohols: a QSAR approach based on the weighted path numbers

Autori
Amić, Dragan ; Lučić, Bono, Nikolić, Sonja ; Trinajstić, Nenad

Izvornik
Croatica chemica acta (0011-1643) 74 (2001), 2; 237-250

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Aliphatic alcohols; inhibition of microsomal p-hydroxylation of aniline; QSAR; weighted path numbers

Sažetak
Weighted path numbers are used to build QSAR models for predicting inhibition of microsomal p-hydroxylation of aliphatic alcohols. Models with two, three and four weighted path numbers are considered. Fit and cross-validated statistical parameters are used to measure the model quality. The best statistical parameters possess models with four weighted path numbers. Comparison with models from the literature favors models based on the weighted path numbers.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
00980606
079301

Ustanove
Fakultet agrobiotehničkih znanosti Osijek,
Institut "Ruđer Bošković", Zagreb

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