The Tasks Classification and Modeling

ANNs can actually perform a number of these tasks at the same time, although most commonly used network perform only a single one. 

Although neural networks have been extensively investigated, the main efforts in chemistry research focus on the appropriate representation of data for neural networks. For instance, finding the adequate descriptor for the representation of chemical structures is one of the basic problems in chemical data analysis. The solution to these problems is a mathematical transformation of the molecular data into a vector of fixed length. On the basis of these vectors, several methods of data analysis can be performed statistical evaluation, evaluation of complex relationships, and fast and effective simulation and prediction of molecular features. 

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