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In the present study a new version of nonlinear partial least-square method based on artificial neural network transformation (ANN-NLPLS) has been proposed. This algorithm firstly transforms the training descriptors into the hidden layer outputs using the universal nonlinear mapping carried by an artificial neural network, and then utilizes PLS to relate the outputs of the hidden layer to the bioactivities...
In the present work, we employed piecewise hyper-sphere modeling by particle swarm optimization (PHMPSO) which splits the dataset into subsets with desired linearity in each model for QSAR studies of a series of 2-aryl(heteroaryl)-2,5-dihydropyrazolo[4,3-c]quinolin-3-(3H)-ones (PQs) for their affinity to benzodiazepine receptor (BzR). The results were compared to those obtained by MLR modeling in...
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