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公开(公告)号:US20160378910A1
公开(公告)日:2016-12-29
申请号:US15194115
申请日:2016-06-27
Applicant: Florida Institute of Technology, Inc.
Inventor: Joel Olson , Mark Novak , Clayton Baum , Raymond Terryn , Krishnan Sriraman
IPC: G06F19/12 , G06F19/16 , G06F19/00
CPC classification number: G16C10/00 , G16C20/30
Abstract: A novel computational QSAR approach that provides sub-molecular correlations that are specific to individual lobes of the pertinent molecular orbitals.
Abstract translation: 一种新颖的计算QSAR方法,其提供对相关分子轨道的单个叶特异的亚分子相关性。