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Journal of Chemical Information and Modeling
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May 23, 2006
A distance function for retrieval of active molecules from complex chemical space representations
Jeffrey W Godden, Jürgen Bajorath
Journal of Chemical Information and Computer Sciences
|
February 22, 2002
Chemical descriptors with distinct levels of information content and varying sensitivity to differences between selected compound databases identified by SE-DSE analysis
Jeffrey W Godden, Jürgen Bajorath
Journal of Molecular Graphics & Modelling
|
August 10, 2000
Shannon entropy--a novel concept in molecular descriptor and diversity analysis
J W Godden, J Bajorath
Methods in Molecular Biology (Clifton, N.J.)
|
May 14, 2004
Partitioning in binary-transformed chemical descriptor spaces
Jeffrey W Godden, Jürgen Bajorath
Journal of Chemical Information and Computer Sciences
|
August 14, 2001
Differential Shannon Entropy as a sensitive measure of differences in database variability of molecular descriptors
J W Godden, J Bajorath
Journal of Molecular Graphics & Modelling
|
August 6, 1999
Evaluation of docking strategies for virtual screening of compound databases: cAMP-dependent serine/threonine kinase as an example
J W Godden, F Stahura, J Bajorath
Journal of Chemical Information and Modeling
|
September 26, 2006
Assessment of molecular similarity from the analysis of randomly generated structural fragment populations
José Batista, Jeffrey W Godden, Jürgen Bajorath
Journal of Chemical Information and Computer Sciences
|
October 16, 2002
Classification of biologically active compounds by median partitioning
Jeffrey W Godden, Ling Xue, Jürgen Bajorath
SAR and QSAR in Environmental Research
|
April 12, 2003
Mini-fingerprints for virtual screening: design principles and generation of novel prototypes based on information theory
L Xue, J W Godden, J Bajorath
Journal of Chemical Information and Computer Sciences
|
October 25, 2000
Evaluation of descriptors and mini-fingerprints for the identification of molecules with similar activity
L Xue, J W Godden, J Bajorath
Page
of 4
Search research articles
Search
Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
Journal of Chemical Information and Modeling
|
May 23, 2006
A distance function for retrieval of active molecules from complex chemical space representations
Jeffrey W Godden, Jürgen Bajorath
Journal of Chemical Information and Computer Sciences
|
February 22, 2002
Chemical descriptors with distinct levels of information content and varying sensitivity to differences between selected compound databases identified by SE-DSE analysis
Jeffrey W Godden, Jürgen Bajorath
Journal of Molecular Graphics & Modelling
|
August 10, 2000
Shannon entropy--a novel concept in molecular descriptor and diversity analysis
J W Godden, J Bajorath
Methods in Molecular Biology (Clifton, N.J.)
|
May 14, 2004
Partitioning in binary-transformed chemical descriptor spaces
Jeffrey W Godden, Jürgen Bajorath
Journal of Chemical Information and Computer Sciences
|
August 14, 2001
Differential Shannon Entropy as a sensitive measure of differences in database variability of molecular descriptors
J W Godden, J Bajorath
Journal of Molecular Graphics & Modelling
|
August 6, 1999
Evaluation of docking strategies for virtual screening of compound databases: cAMP-dependent serine/threonine kinase as an example
J W Godden, F Stahura, J Bajorath
Journal of Chemical Information and Modeling
|
September 26, 2006
Assessment of molecular similarity from the analysis of randomly generated structural fragment populations
José Batista, Jeffrey W Godden, Jürgen Bajorath
Journal of Chemical Information and Computer Sciences
|
October 16, 2002
Classification of biologically active compounds by median partitioning
Jeffrey W Godden, Ling Xue, Jürgen Bajorath
SAR and QSAR in Environmental Research
|
April 12, 2003
Mini-fingerprints for virtual screening: design principles and generation of novel prototypes based on information theory
L Xue, J W Godden, J Bajorath
Journal of Chemical Information and Computer Sciences
|
October 25, 2000
Evaluation of descriptors and mini-fingerprints for the identification of molecules with similar activity
L Xue, J W Godden, J Bajorath
Page
of 4