Associative neural networks ASNN

Associative neural networks (ASNN) Aqueous solubility, octanol-water partition (logP, logD) Quantitative Error No [13-15]... 

Methods Using 2D and ID Descriptors A good number of articles on aqueous solubility used a nonlinear method of data analysis, in particular, for methods developed with ID and 2D descriptors. Huuskonen [16] used E-state indexes [52,53] and several other topological indexes, with a total of 30 indexes, to develop his models. The predicted results for the 413 test set, SE = 0.71, calculated with MLRA were improved with a neural network, resulting in SE = 0.6. Tetko [17] noticed that E-state indexes represent a complete system of descriptors for molecules, and thus only these descriptors are sufficient to develop the aqueous solubility model. Indeed the model developed by the authors using exclusively E-state indexes provides similar results when compared to the model of Huuskonen [16]. Later on, the model was redeveloped using the Associative Neural Network (ASNN) method [54],... 

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