| 摘要 |
There is disclosed a method for recording and storing information on chemical reactions of producing at least one product from at least one starting material, which comprises representing the chemical reaction in such a manner that the starting material is topologically superposed upon the product, and bonds are distinguished and classified into three categories of (1) bonds linking two nodes appearing both in the starting and product stages, (2) bonds linking two nodes appearing only in the starting stage and (3) bonds linking two nodes appearing only in the product stage. Methods for processing information on chemical reactions to record and store, which include preparing an imaginary transition structure (ITS) of a chemical reaction and a connection table of ITS according to the representation are also disclosed. |
