Search research articles
Contact Us
Filters
Showing results (1-10 of 16) with videos related to
Page
of 2
Sort By:
Journal of Chemical Information and Modeling
|
July 7, 2011
Large-scale similarity search profiling of ChEMBL compound data sets
Kathrin Heikamp, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
July 29, 2011
How do 2D fingerprints detect structurally diverse active compounds? Revealing compound subset-specific fingerprint features through systematic selection
Kathrin Heikamp, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
March 23, 2013
Prediction of compounds with closely related activity profiles using weighted support vector machine linear combinations
Kathrin Heikamp, Jürgen Bajorath
Expert Opinion on Drug Discovery
|
December 6, 2013
Support vector machines for drug discovery
Kathrin Heikamp, Jürgen Bajorath
Chemical Biology & Drug Design
|
December 21, 2012
The future of virtual compound screening
Kathrin Heikamp, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
June 27, 2013
Comparison of confirmed inactive and randomly selected compounds as negative training examples in support vector machine-based virtual screening
Kathrin Heikamp, Jürgen Bajorath
Future Medicinal Chemistry
|
October 24, 2012
Fingerprint design and engineering strategies: rationalizing and improving similarity search performance
Kathrin Heikamp, Jürgen Bajorat
Journal of Chemical Information and Modeling
|
April 16, 2013
Compound pathway model to capture SAR progression: comparison of activity cliff-dependent and -independent pathways
Dagmar Stumpfe, Dilyana Dimova, Kathrin Heikamp, et al.
Chemical Biology & Drug Design
|
January 30, 2014
Modeling of compound profiling experiments using support vector machines
Jenny Balfer, Kathrin Heikamp, Stefan Laufer, et al.
Chemical Biology & Drug Design
|
December 1, 2010
Potency-directed similarity searching using support vector machines
Anne M Wassermann, Kathrin Heikamp, Jürgen Bajorath
Page
of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
July 7, 2011
Large-scale similarity search profiling of ChEMBL compound data sets
Kathrin Heikamp, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
July 29, 2011
How do 2D fingerprints detect structurally diverse active compounds? Revealing compound subset-specific fingerprint features through systematic selection
Kathrin Heikamp, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
March 23, 2013
Prediction of compounds with closely related activity profiles using weighted support vector machine linear combinations
Kathrin Heikamp, Jürgen Bajorath
Expert Opinion on Drug Discovery
|
December 6, 2013
Support vector machines for drug discovery
Kathrin Heikamp, Jürgen Bajorath
Chemical Biology & Drug Design
|
December 21, 2012
The future of virtual compound screening
Kathrin Heikamp, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
June 27, 2013
Comparison of confirmed inactive and randomly selected compounds as negative training examples in support vector machine-based virtual screening
Kathrin Heikamp, Jürgen Bajorath
Future Medicinal Chemistry
|
October 24, 2012
Fingerprint design and engineering strategies: rationalizing and improving similarity search performance
Kathrin Heikamp, Jürgen Bajorat
Journal of Chemical Information and Modeling
|
April 16, 2013
Compound pathway model to capture SAR progression: comparison of activity cliff-dependent and -independent pathways
Dagmar Stumpfe, Dilyana Dimova, Kathrin Heikamp, et al.
Chemical Biology & Drug Design
|
January 30, 2014
Modeling of compound profiling experiments using support vector machines
Jenny Balfer, Kathrin Heikamp, Stefan Laufer, et al.
Chemical Biology & Drug Design
|
December 1, 2010
Potency-directed similarity searching using support vector machines
Anne M Wassermann, Kathrin Heikamp, Jürgen Bajorath
Page
of 2