Browsing Cyfrifiadureg / Computer Science by Author "Freitas, Matheus P."

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Ant colony optimization as a feature selection method in the QSAR modeling of anti-HIV-1 activities of 3-(3,5-dimethylbenzyl)uracil derivatives using MLR, PLS and SVM regression

Goodarzi, Mohammad; Freitas, Matheus P.; Jensen, Richard (2009-10-15)

A quantitative structure–activity relationship (QSAR) modeling was carried out for the anti-HIV-1 activities of 3-(3,5-dimethylbenzyl)uracil derivatives. The ant colony optimization (ACO) strategy was used as a feature ...
Feature Selection and Linear/Nonlinear Regression Methods for the Accurate Prediction of Glycogen Synthase Kinase-3Β Inhibitory Activities

Jensen, Richard; Goodarzi, Mohammad; Freitas, Matheus P. (2009-04-01)

Few variables were selected from a pool of calculated Dragon descriptors through three different feature selection methods, namely genetic algorithm (GA), successive projections algorithm (SPA), and fuzzy rough set ant ...

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