Abstract

A method for learning short-term rules of conformational analysis is introduced. The technique works by discovering problems during the building of a conformation in Cartesian coordinate space, and builds an abstract critic suitable for reasoning in abstract symbolic space. The methods not only afford speed increases ranging from 1.0- to 2.3-fold in WIZARD (analysis completed in 100% to 43% of original run time), but can be modified to provide similar increases in other programs that use “template joining” and distance geometry. These methods also provide the basis for a longterm learning project.

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