Development of ICAI Softwares with Intelligent Human Interface for Chemistry

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In the first year of the project, we accomplished two programs written in Basic language. The first one can perform various simulations concerning about dipole moment and microwave spectroscopy (or molecular rotation) based on the molecular model which has been already developed by us. The rest deals with molecular symmetry. On the basis of molecular model, it can find out all symmetry elements and represent them together with molecular model on CRT, only using geometrical data. We reported them as papers.Throughout the project, we paid special attention on the capability of Prolog language. And we have tried to give intelligent features to a CAI software for chemistry. We used qualitative analysis of metal ions as an example. Knowledge database and inferring engine were constructed. This system can tell users a series of procedures to separate and identify metal ions in a mixture solution. Although the number of metal ions applicable is limited at this stage, it can be extended easily by increasing database. Thus we published a paper with this work.