STRUCTURE SEARCHING IN CHEMICAL DATABASES BY DIRECT LOOKUP METHODS

Modern chemical structure databases represent a continuing challenge to efficient and accurate searchability. As these databases grow in size and complexity, it is important to develop search methods that are less dependent on database size. Direct lookup methods can have the effect of being largely independent of database size. Over the years at Molecular Design Ltd. we have developed methods to do exact structure search, ''near exact'' structure search, and substructure search which approach the ideal of direct lookups.