Development of Client/Server System for Prediction of Reaction By-product

Abstract

We have developed three different types of organic synthesis design systems (AIPHOS, KOSP, TOSP). On the other hand, in order to evaluate the synthetic pathway proposed by the design synthesis, a system which predicts reaction by-product has been developed. This system can evaluate synthetic pathway with attention to the safety and reaction condition for by-product. Prediction of reaction by-product is very important in design of organic synthesis. However, such a system had not been developed in spite of its importance. Then, we developed the Client/Server (C/S) system which unifiesthree organic synthesis design systems and the prediction system of reaction by-product. This C/S system can use three organic synthesis design systems and the prediction system of reaction by-product with common interface. The server of this unified system runs on Linux or IRIX.And the corresponding client runs on Microsoft Windows. This C/S system can evaluate synthetic pathway by prediction of reaction by-product simultaneously with searching synthetic pathway.