Neural Networks in Chemistry

Abstract

All problems that in some way are linked to handling of multi‐variate experiments versus multi‐variate responses can be approached by the group of methods that has recently became known as the artificial neural network (ANN) techniques. In this lecture, the types of the problems that can be solved by ANN techniques rather than the ANN techniques themselves will be addressed first. This issue is rather important due to the fact that the ANN techniques can be used for a very broad range of problems and choosing the wrong method can often result in either a failure to produce an effective solution or in a very time consuming and ineffective handling. Among the types of problems that can be solved by different ANN techniques the classification, mapping, look‐up table, and modelling will be emphasized and discussed. Because all mentioned methods can be solved by different standard techniques, special emphasis will be paid to stress the advantages and drawbacks when employing different ANN techniques. Due to th...