Method for molecular subshape similarity matching

A database of three-dimensional molecule shapes may be effectively searched for similarity to a query molecule subshape. Triangle matching is first performed between a query subshape triangle representative of a local volume distribution within the query molecule, and a target subshape triangle repr...

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Bibliographische Detailangaben

Hauptverfasser:	JEFFERY BLANEY, CHRISTIAN LEMMEN, LESLIE ANN ROBINSON, ROBERT V. STANTON, SANTOSH PUTTA
Format:	Patent
Sprache:	eng
Schlagworte:	CALCULATING COMPUTING COUNTING ELECTRIC DIGITAL DATA PROCESSING INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES MEASURING PHYSICS TESTING
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