Fast 3D shape screening of large chemical databases through alignment-recycling-5
2011-12-31T09:24:25Z (GMT) by
Taken from "Fast 3D shape screening of large chemical databases through alignment-recycling"
Chemistry Central Journal 2007;1():12-12.
Published online 6 Jun 2007
PMCID:PMC1994057.ROCS alignments for each 0.01 ROCS shape Tanimoto interval. performs better than ROCS when the difference is above 0, and vice-versa. Distribution is successively partitioned at first percentile, first decile, first quartile, median, last quartile, last decile and last percentile. The scale on the side of each plot is proportional to the number of alignments in each partition. Points A, B and C correspond to the examples shown in .