摘要:
Criteria for creating reduced graph representations of full generic structures for screening in full structure and substructure searching are compared;ring/non/ring reduction is identified as the principal criterion. The current form of the Extended Connection Table Representation (ECTR), the internal representation of generic structures in the GENSAL system, is shown to be an AND/OR tree, in contrast with an earlier implementation, a logical graph. The role of the ECTR in facilitating the generation of reduced graphs from a wide range of generic structures, despite the complexity of their logical texture, is detailed. The structural descriptors associated with the nodes of the resultant graphs are detailed, together with their derivation. These descriptors are common, regardless of whether they are derived from specific or generic partial structures (PSs), thus ensuring the correctness of retrieval.