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Quantitative Structure-Fluorescence Property Relationship Analysis of a Large BODIPY Library.

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第一作者： Andreas,Schüller

第一单位： Duke-NUS Graduate Medical School, Program in Emerging Infectious Diseases, 8 College Road, Singapore 169857.;Medicinal Chemistry Programme, National University of Singapore, 3 Science Drive 3, Singapore 117543.

作者： Andreas,Schüller ^[1] ; Garrett Benjamin,Goh ^[2] ; Hanjo,Kim ^[3] ; Jun-Seok,Lee ^[4] ; Young-Tae,Chang ^[5]

作者单位： Duke-NUS Graduate Medical School, Program in Emerging Infectious Diseases, 8 College Road, Singapore 169857.;Medicinal Chemistry Programme, National University of Singapore, 3 Science Drive 3, Singapore 117543. ^[1] Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117543 phone: +65 6516 6774, fax: +65 6779 1691. ^[2] Medicinal Chemistry Programme, National University of Singapore, 3 Science Drive 3, Singapore 117543.;Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117543 phone: +65 6516 6774, fax: +65 6779 1691. ^[3] Life/Health Division, Integrated Omics Center, Korea Institute of Science and Technology (KIST), Seoul, South Korea, 136-791. ^[4] Medicinal Chemistry Programme, National University of Singapore, 3 Science Drive 3, Singapore 117543. chmcyt@nus.edu.sg.;Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117543 phone: +65 6516 6774, fax: +65 6779 1691. chmcyt@nus.edu.sg.;Laboratory of Bioimaging Probe Development, Singapore Bioimaging Consortium, Biomedical Research Council, Agency for Science, Technology and Research (A*STAR), 11 Biopolis Way, #02-02 Helios, Singapore 138667. chmcyt@nus.edu.sg. ^[5]

关键词 Absorption/fluorescence emission wavelength (λabs/λem)DOFLA Multiple linear regression (MLR)QSPR, BODIPY Support vector regression (SVR)

DOI 10.1002/minf.201000089

PMID 27464015

发布时间 2016-07-28

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