ßé
JL1
Informational Chemistry Research for Practical Aims in Chemistry
Hiroko SatohiNational Institute of Informaticsj
Some tools of informational chemistry, such as databases, have recently become useful even in the field of experimental chemistry. However, in practical meaning, most of researches of informational chemistry are not essential approaches for solving chemical problems yet. In order to advance practical use in chemistry, establishment of both foundation and applications are necessary. It is a general concept in broad research fields. According to the concept, we are studying several themes concerning with informational chemistry for practical aims in chemistry. This paper describes overview of the researches with their purposes and concepts. It includes quality control study of databases, algorithms for fast computing, graphic interfaces, construction of software library, and developing some chemical representation methods and computer systems for prediction of NMR and chemical reactions for practical use.