| 摘要 |
The present invention relates to uses of a multi-dimensional matrix in pharmaceutical molecule design and a pharmaceutical design method. The method is the first to apply the mathematical matrix optimization concept to pharmaceuticals and to the related field of molecule design. A multi-dimensional matrix is used to combine factors that affect pharmaceutical chemical structures and features, so that the large number of factors that must be taken into consideration during the process of pharmaceutical research and development can be categorized and compared according to certain characteristics. A small number of variables are used to represent a large number of variables, so as to effectively obtain the pertinent pharmaceutical chemical structure, thereby enhancing the physical chemical properties thereof. The structure is then compared to structures from existing pharmaceutical empirical data, and the pharmaceutical molecule structure is further optimized. The pertinence and design efficiency of pharmaceutical design, and synthesis efficiency are substantially enhanced. |
