Title: Generation of artificial neural networks models in anticancer study
Authors: Inês Sousa , José Padrón , Miguel Fernandes
Abstract: Artificial Neural Networks (ANN) have several applications; one of them is the prediction of biological activity. Here, ANN were applied to a set of 32 compounds with anticancer activity assayed experimentally against two cancer cell lines (A2780 and T- 47D). Using training and test sets, the obtained correlation coefficients between experimental and calculated values of activity, for A2780, were 0.804 and 0.829, respectively, and for T-47D we got 0.820 for the training set and 0.927 for the test set. Comparing Multiple Linear Regression and ANN models, the latter were better suited in establishing relationships between compounds’ structure and their anticancer activity.
Publication date: 2012-07-16
Online entry date: 2013-05-08
Conference: CONTROLO’2012
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