Boots – shoes – and leggings
Patent
1995-06-09
1998-07-21
Voeltz, Emanuel T.
Boots, shoes, and leggings
364578, G06F 1546
Patent
active
057842949
ABSTRACT:
A computer-based method and system describes molecules in a most fundamental and compact way using a set of attributes of the molecule derived from data representing the atomic structure and atomic charge of the molecule. The attributes include the shape of the molecule as defined by the moment of inertia of the molecule, the charge distribution of the molecule as defined by a novel representation of molecular quadrupole, and/or attributes that represent the relationship of the shape to the charge distribution of the molecule. A set of these physical attributes are represented by a set of descriptors. The set of descriptors may be used for molecular matching and activity prediction, as well as in 3D-QSAR analysis.
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Platt Daniel Enoch
Silverman Benjamin David
Choi Kyle J.
International Business Machines - Corporation
Sbrollini Jay P.
Voeltz Emanuel T.
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