67.構築知識と部分的エネルギー評価による石炭分子構造構築システム

抄録

Coal structure construction system is proposed in this paper. In this system, first some partial structures are selected from candidates of a structure, which are constructed by connecting input fragments, using construction knowledge found from chemists. Then the partial structures are narrowed down to appropriate one in terms of three-dimensional conformation using partial structure evaluation. We confirmed that the system can construct coal structures far better than the structure constructed by chemists.