| abstract |
A method for partitioning molecular subsets is described. The partitioning method takes into account the constraints imposed by the implementation of the partitioning method, the molecular structure and its storage and transmission manner, the transformations applied to the molecular subsets and their implementation. Using this method, molecular subsets can be stored, transmitted, and processed more efficiently. The resulting efficiency allows applications that require complex molecular processing, such as rational drug discovery and virtual library design, to be designed and run. |