Croatica Chemica Acta, Vol. 79 No. 3, 2006.
Original scientific paper
QSAR Modeling of Antifungal Activity of Some Heterocyclic Compounds
Oleg Ursu
Adina Costescu
Mircea V. Diudea
Bazil Parv
Abstract
QSAR analysis of a set of benzoxazoles, benzimidazoles, oxazolo[4,5-b]pyridines and benzothiazoles, showing growth inhibitory activity against Candida albicans, was performed using a multiple regression procedure. Topological indices (TIs) and principal component analysis (PCA) on TIs were used in modeling antifungal activity. Selection of TIs relevant to developing QSAR models was made using the largest PC factor loading scores. Correlation coefficient 0.97 obtained in the validation procedure indicated the excellent quality of the derived QSAR models.
Keywords
antifungal activity; QSAR/QSPR; PCA
Hrčak ID:
5659
URI
Publication date:
12.11.2006.
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