R. Parra-Hernandez, E. M. Laxdal, N. Dimopoulos, P. Alexiou
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引用次数: 5
Abstract
In this paper, we present a mechanism to obtain a neural network-based model that predicts an enzyme inhibitory activity of a group of compounds. The mechanism selects the compounds, among a sparse set of, that should be used to obtain models of the inhibitory activity of interest. That is, the mechanism is aimed to the selection of a training set of compounds which will ensure that the training of a neural network-based model will result in a system capable of generalization
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