Search research articles
Contact Us
Filters
Showing results (1-10 of 10) with videos related to
Page
of 1
Sort By:
Combinatorial Chemistry & High Throughput Screening
|
June 13, 2009
How wrong can we get? A review of machine learning approaches and error bars
Anton Schwaighofer, Timon Schroeter, Sebastian Mika, et al.
Journal of Chemical Information and Modeling
|
April 6, 2005
Classifying 'drug-likeness' with kernel-based learning methods
Klaus-Robert Müller, Gunnar Rätsch, Sören Sonnenburg, et al.
Journal of Chemical Information and Modeling
|
May 14, 2009
Bias-correction of regression models: a case study on hERG inhibition
Katja Hansen, Fabian Rathke, Timon Schroeter, et al.
Molecular Pharmaceutics
|
July 20, 2007
Machine learning models for lipophilicity and their domain of applicability
Timon Schroeter, Anton Schwaighofer, Sebastian Mika, et al.
Journal of Chemical Information and Modeling
|
August 26, 2009
Benchmark data set for in silico prediction of Ames mutagenicity
Katja Hansen, Sebastian Mika, Timon Schroeter, et al.
Journal of Computer-Aided Molecular Design
|
December 7, 2007
Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules
Timon Sebastian Schroeter, Anton Schwaighofer, Sebastian Mika, et al.
Journal of Computer-Aided Molecular Design
|
July 17, 2007
Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules
Timon Sebastian Schroeter, Anton Schwaighofer, Sebastian Mika, et al.
Chemmedchem
|
June 20, 2007
Predicting lipophilicity of drug-discovery molecules using Gaussian process models
Timon S Schroeter, Anton Schwaighofer, Sebastian Mika, et al.
Journal of Chemical Information and Modeling
|
January 25, 2007
Accurate solubility prediction with error bars for electrolytes: a machine learning approach
Anton Schwaighofer, Timon Schroeter, Sebastian Mika, et al.
Journal of Chemical Information and Modeling
|
March 11, 2008
A probabilistic approach to classifying metabolic stability
Anton Schwaighofer, Timon Schroeter, Sebastian Mika, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Combinatorial Chemistry & High Throughput Screening
|
June 13, 2009
How wrong can we get? A review of machine learning approaches and error bars
Anton Schwaighofer, Timon Schroeter, Sebastian Mika, et al.
Journal of Chemical Information and Modeling
|
April 6, 2005
Classifying 'drug-likeness' with kernel-based learning methods
Klaus-Robert Müller, Gunnar Rätsch, Sören Sonnenburg, et al.
Journal of Chemical Information and Modeling
|
May 14, 2009
Bias-correction of regression models: a case study on hERG inhibition
Katja Hansen, Fabian Rathke, Timon Schroeter, et al.
Molecular Pharmaceutics
|
July 20, 2007
Machine learning models for lipophilicity and their domain of applicability
Timon Schroeter, Anton Schwaighofer, Sebastian Mika, et al.
Journal of Chemical Information and Modeling
|
August 26, 2009
Benchmark data set for in silico prediction of Ames mutagenicity
Katja Hansen, Sebastian Mika, Timon Schroeter, et al.
Journal of Computer-Aided Molecular Design
|
December 7, 2007
Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules
Timon Sebastian Schroeter, Anton Schwaighofer, Sebastian Mika, et al.
Journal of Computer-Aided Molecular Design
|
July 17, 2007
Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules
Timon Sebastian Schroeter, Anton Schwaighofer, Sebastian Mika, et al.
Chemmedchem
|
June 20, 2007
Predicting lipophilicity of drug-discovery molecules using Gaussian process models
Timon S Schroeter, Anton Schwaighofer, Sebastian Mika, et al.
Journal of Chemical Information and Modeling
|
January 25, 2007
Accurate solubility prediction with error bars for electrolytes: a machine learning approach
Anton Schwaighofer, Timon Schroeter, Sebastian Mika, et al.
Journal of Chemical Information and Modeling
|
March 11, 2008
A probabilistic approach to classifying metabolic stability
Anton Schwaighofer, Timon Schroeter, Sebastian Mika, et al.
Page
of 1