SUBSTRUCTURE SEARCH-SYSTEMS .1. PERFORMANCE COMPARISON OF THE MACCS, DARC, HTSS, CAS REGISTRY MVSSS, AND S4 SUBSTRUCTURE SEARCH-SYSTEMS

A comparison of the performance of the substructure search systems MACCS, DARC, HTSS, and S4 has been carried out in-house at the Beilstein Institute, and that of the CAS Registry MVSSS system on STN International at FIZ Karlsruhe was carried out online. Included in the comparison were the hit sets, screening efficiency, task times, and elapse times. The results showed that all systems gave similar results in terms of retrieved hit sets, but S4 dramatically out-performed the other systems in terms of task and elapse times. A subsequent test of S4 with a very much larger file showed the search time/file size relationship to be very much less than linear. © 1990, American Chemical Society. All rights reserved.