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3 research outputs found
Chemical Descriptors with Distinct Levels of Information Content and Varying Sensitivity to Differences between Selected Compound Databases Identified by SE-DSE Analysis
Author
Available Chemicals Directory
Bajorath J
+20 more
Balaban A. T
Balaban A. T
Chapman
Comprehensive Medicinal Chemistry Database
Cover T. M.
Gasteiger J.
Godden J. W.
Godden J. W.
Henkel T.
Kullback S.
Labute P
Livingstone D. J
Martin Y. C
McGregor M. J.
Schreiber T
Shannon C. E.
Stahura F. L.
Synthline Drug Database STN
Wildman S. A.
Xue L.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Accurate Partitioning of Compounds Belonging to Diverse Activity Classes
Author
Bajorath J
Barnard J. M.
+28 more
Bayley M. J.
Brown R. D.
Chapman
Chen X.
Comprehensive Medicinal Chemistry Database
Forrest S.
Gasteiger J.
Glen W. G.
Jarvis R. A.
Kier L. B
Labute P
Livingstone D. J
Mason J. S.
McGregor M. J.
Molecular Operating Environment
Pearlman R. S.
Petitjean M
Sanatvy M.
Schnur D
Synthline Drug Database STN
Ward J. H
Wild D. J.
Wildman S. A.
Willett P.
Xue L.
Xue L.
Xue L.
Xue L.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces
Author
Agrafiotis D. K.
Agrafiotis D. K.
+28 more
Agrafiotis D. K.
Bajorath J
Bajorath J
Chen X.
Eckert H.
Godden J. W.
Godden J. W.
Godden J. W.
Godden J. W.
Godden J. W.
Godden J. W.
Godden J. W.
Irwin J. J.
Jorissen R. N.
Martin Y. C.
Pearlman R. S.
Pearlman R. S.
Roth B. L.
Schuffenhauer A.
Sheridan R. P.
Sheridan R. P.
Stahura F. L.
Synthline Drug Database STN
Warmuth M. K.
Willett P.
Xue L.
Xue L.
Xue L.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref