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Pregled bibliografske jedinice broj: 1732

2-Difluoromethylthio-4, 6-bis(monoalkylamino)-1, 3, 5-triazines as inhibitors of Hill reaction: A QSAR study with orthogonalized descriptors


Šoškić, Milan; Plavšić, Dejan; Trinajstić, Nenad
2-Difluoromethylthio-4, 6-bis(monoalkylamino)-1, 3, 5-triazines as inhibitors of Hill reaction: A QSAR study with orthogonalized descriptors // Journal of chemical information and computer sciences, 36 (1996), 1; 146-150 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 1732 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
2-Difluoromethylthio-4, 6-bis(monoalkylamino)-1, 3, 5-triazines as inhibitors of Hill reaction: A QSAR study with orthogonalized descriptors

Autori
Šoškić, Milan ; Plavšić, Dejan ; Trinajstić, Nenad

Izvornik
Journal of chemical information and computer sciences (0095-2338) 36 (1996), 1; 146-150

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

Ključne riječi
triazines; herbicidal activity; connectivity indices; dominant component method; principal component analysis; QSAR modeling

Sažetak
The QSAR models for herbicidal activity of 2-difluoromethylthio-4, 6-bis(monoalkylamino)-1, 3, 5-triazines have been developed, using orthogonalized molecular connectivity indices. The orthogonalization of the descriptor variables were performed by a recently proposed dominant component method and well established principal component analysis. The three parameter model based on dominant component descriptors and four parameter principal component regression model are similar in their statistical properties. However, direct correspondance between dominant component descriptors and original variables makes the former model easier to interpret. The obtained models are simpler than the earlier proposed six parameter model, based on n-octanol/water partition coefficients and Taft^, steric substituent constants, but are as accurate as this model.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekti:
00980606
00980607

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Nenad Trinajstić (autor)

Avatar Url Dejan Plavšić (autor)

Avatar Url Milan Šoškić (autor)


Citiraj ovu publikaciju:

Šoškić, Milan; Plavšić, Dejan; Trinajstić, Nenad
2-Difluoromethylthio-4, 6-bis(monoalkylamino)-1, 3, 5-triazines as inhibitors of Hill reaction: A QSAR study with orthogonalized descriptors // Journal of chemical information and computer sciences, 36 (1996), 1; 146-150 (međunarodna recenzija, članak, znanstveni)
Šoškić, M., Plavšić, D. & Trinajstić, N. (1996) 2-Difluoromethylthio-4, 6-bis(monoalkylamino)-1, 3, 5-triazines as inhibitors of Hill reaction: A QSAR study with orthogonalized descriptors. Journal of chemical information and computer sciences, 36 (1), 146-150.
@article{article, year = {1996}, pages = {146-150}, keywords = {triazines, herbicidal activity, connectivity indices, dominant component method, principal component analysis, QSAR modeling}, journal = {Journal of chemical information and computer sciences}, volume = {36}, number = {1}, issn = {0095-2338}, title = {2-Difluoromethylthio-4, 6-bis(monoalkylamino)-1, 3, 5-triazines as inhibitors of Hill reaction: A QSAR study with orthogonalized descriptors}, keyword = {triazines, herbicidal activity, connectivity indices, dominant component method, principal component analysis, QSAR modeling} }
@article{article, year = {1996}, pages = {146-150}, keywords = {triazines, herbicidal activity, connectivity indices, dominant component method, principal component analysis, QSAR modeling}, journal = {Journal of chemical information and computer sciences}, volume = {36}, number = {1}, issn = {0095-2338}, title = {2-Difluoromethylthio-4, 6-bis(monoalkylamino)-1, 3, 5-triazines as inhibitors of Hill reaction: A QSAR study with orthogonalized descriptors}, keyword = {triazines, herbicidal activity, connectivity indices, dominant component method, principal component analysis, QSAR modeling} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE





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