MOLECULAR ACTIVE CENTER IDENTIFICATION USING TUNNELING BARRIERS AND/OR ASSOCIATED MEASUREMENTS FOR SUB-MOLECULAR QSAR

MOLECULAR ACTIVE CENTER IDENTIFICATION USING TUNNELING BARRIERS AND/OR ASSOCIATED MEASUREMENTS FOR SUB-MOLECULAR QSAR

A novel computational QSAR approach that provides sub-molecular correlations that are specific to individual lobes of the pertinent molecular orbitals.

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Bibliographische Detailangaben
Hauptverfasser: Terryn Raymond, Sriraman Krishnan, Baum Clayton, Novak Mark, Olson Joel
Format: Patent
Sprache:eng
Schlagworte:
CALCULATING
COMPUTING
COUNTING
ELECTRIC DIGITAL DATA PROCESSING
PHYSICS
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Beschreibung
Zusammenfassung:A novel computational QSAR approach that provides sub-molecular correlations that are specific to individual lobes of the pertinent molecular orbitals.