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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.
Molecular Informatics
|
July 29, 2016
Visual Interpretation of Kernel-Based Prediction Models
Katja Hansen, David Baehrens, Timon Schroeter, 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 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.
Bioorganic & Medicinal Chemistry Letters
|
March 30, 2010
Truxillic acid derivatives act as peroxisome proliferator-activated receptor gamma activators
Ramona Steri, Matthias Rupp, Ewgenij Proschak, et al.
Chemmedchem
|
January 1, 2010
From machine learning to natural product derivatives that selectively activate transcription factor PPARgamma
Matthias Rupp, Timon Schroeter, Ramona Steri, et al.
Journal of Chemical Information and Modeling
|
November 2, 2010
Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set
Iurii Sushko, Sergii Novotarskyi, Robert Körner, 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.
Molecular Informatics
|
July 29, 2016
Visual Interpretation of Kernel-Based Prediction Models
Katja Hansen, David Baehrens, Timon Schroeter, 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 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.
Bioorganic & Medicinal Chemistry Letters
|
March 30, 2010
Truxillic acid derivatives act as peroxisome proliferator-activated receptor gamma activators
Ramona Steri, Matthias Rupp, Ewgenij Proschak, et al.
Chemmedchem
|
January 1, 2010
From machine learning to natural product derivatives that selectively activate transcription factor PPARgamma
Matthias Rupp, Timon Schroeter, Ramona Steri, et al.
Journal of Chemical Information and Modeling
|
November 2, 2010
Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set
Iurii Sushko, Sergii Novotarskyi, Robert Körner, et al.
Page
of 1