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Many molecules of interest are flexible and undergo significant shape deformation as part of their function, but most existing methods of molecular shape comparison treat them as rigid shapes, which may lead to incorrect measure of the shape similarity of flexible molecules. Currently, there still is a limited effort in retrieval and navigation for flexible molecular shape comparison, which would improve data retrieval by helping users locate the desirable molecule in a convenient way. Results:doi:10.1186/1471-2105-13-95 pmid:22583488 pmcid:PMC3430558 fatcat:uax5z67yzvalfojtlzynl67usu