SEARCHABLE MOLECULAR DATABASE

SEARCHABLE MOLECULAR DATABASE

A computer system comprising a database ( 100 ) having a plurality of records, is provided. Each record comprises a filed point representation representing field extrema for a conformation of a chemical structure. The database may include records for multiple conformations of the same chemical struc...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: JEREMY, GILBERT VINTER, TIM CHEESERIGHT, PHILIP, ANTHONY ASHWORTH, MARK, DENIS MACKEY
Format: Patent
Sprache:eng
Schlagworte:
CALCULATING
COMPUTING
COUNTING
ELECTRIC DIGITAL DATA PROCESSING
PHYSICS
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Beschreibung
Zusammenfassung:A computer system comprising a database ( 100 ) having a plurality of records, is provided. Each record comprises a filed point representation representing field extrema for a conformation of a chemical structure. The database may include records for multiple conformations of the same chemical structure. Each record can have a searchable index of the filed point representation. In one embodiment the index is bit string. An indexing mechanism for generating an index, a searching mechanism for searching the database and a graphical user interface to enable a user to interface with the database ( 100 ) are also provided.