QSAR Modeling of Imbalanced High-Throughput Screening Data in PubChem

  • Alexey V. Zakharov
    CADD Group, Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, DHHS, NCI-Frederick, 376 Boyles St., Frederick, Maryland 21702, United States
  • Megan L. Peach
    Basic Science Program, Leidos Biomedical, Inc., Computer-Aided Drug Design Group, Chemical Biology Laboratory, Frederick National Laboratory for Cancer Research, 376 Boyles St., Frederick, Maryland 21702, United States
  • Markus Sitzmann
    CADD Group, Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, DHHS, NCI-Frederick, 376 Boyles St., Frederick, Maryland 21702, United States
  • Marc C. Nicklaus
    CADD Group, Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, DHHS, NCI-Frederick, 376 Boyles St., Frederick, Maryland 21702, United States

書誌事項

公開日
2014-02-28
権利情報
  • http://pubs.acs.org/page/policy/authorchoice_termsofuse.html
DOI
  • 10.1021/ci400737s
公開者
American Chemical Society (ACS)

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