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Journal of Cheminformatics
|
November 18, 2016
Filtered circular fingerprints improve either prediction or runtime performance while retaining interpretability
Martin Gütlein, Stefan Kramer
Journal of Cheminformatics
|
March 20, 2012
CheS-Mapper - Chemical Space Mapping and Visualization in 3D
Martin Gütlein, Andreas Karwath, Stefan Kramer
Molecular Informatics
|
August 3, 2016
A Large-Scale Empirical Evaluation of Cross-Validation and External Test Set Validation in (Q)SAR
Martin Gütlein, Christoph Helma, Andreas Karwath, et al.
Frontiers in Pharmacology
|
June 14, 2013
lazar: a modular predictive toxicology framework
Andreas Maunz, Martin Gütlein, Micha Rautenberg, et al.
Nucleic Acids Research
|
November 20, 2015
enviPath--The environmental contaminant biotransformation pathway resource
Jörg Wicker, Tim Lorsbach, Martin Gütlein, et al.
Environmental Science. Processes & Impacts
|
February 24, 2017
Eawag-Soil in enviPath: a new resource for exploring regulatory pesticide soil biodegradation pathways and half-life data
Diogo A R S Latino, Jörg Wicker, Martin Gütlein, et al.
Frontiers in Pharmacology
|
June 21, 2018
Modeling Chronic Toxicity: A Comparison of Experimental Variability With (Q)SAR/Read-Across Predictions
Christoph Helma, David Vorgrimmler, Denis Gebele, et al.
Frontiers in Pharmacology
|
October 7, 2016
Innovative Strategies to Develop Chemical Categories Using a Combination of Structural and Toxicological Properties
Monika Batke, Martin Gütlein, Falko Partosch, et al.
Journal of Cheminformatics
|
September 3, 2010
Collaborative development of predictive toxicology applications
Barry Hardy, Nicki Douglas, Christoph Helma, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Cheminformatics
|
November 18, 2016
Filtered circular fingerprints improve either prediction or runtime performance while retaining interpretability
Martin Gütlein, Stefan Kramer
Journal of Cheminformatics
|
March 20, 2012
CheS-Mapper - Chemical Space Mapping and Visualization in 3D
Martin Gütlein, Andreas Karwath, Stefan Kramer
Molecular Informatics
|
August 3, 2016
A Large-Scale Empirical Evaluation of Cross-Validation and External Test Set Validation in (Q)SAR
Martin Gütlein, Christoph Helma, Andreas Karwath, et al.
Frontiers in Pharmacology
|
June 14, 2013
lazar: a modular predictive toxicology framework
Andreas Maunz, Martin Gütlein, Micha Rautenberg, et al.
Nucleic Acids Research
|
November 20, 2015
enviPath--The environmental contaminant biotransformation pathway resource
Jörg Wicker, Tim Lorsbach, Martin Gütlein, et al.
Environmental Science. Processes & Impacts
|
February 24, 2017
Eawag-Soil in enviPath: a new resource for exploring regulatory pesticide soil biodegradation pathways and half-life data
Diogo A R S Latino, Jörg Wicker, Martin Gütlein, et al.
Frontiers in Pharmacology
|
June 21, 2018
Modeling Chronic Toxicity: A Comparison of Experimental Variability With (Q)SAR/Read-Across Predictions
Christoph Helma, David Vorgrimmler, Denis Gebele, et al.
Frontiers in Pharmacology
|
October 7, 2016
Innovative Strategies to Develop Chemical Categories Using a Combination of Structural and Toxicological Properties
Monika Batke, Martin Gütlein, Falko Partosch, et al.
Journal of Cheminformatics
|
September 3, 2010
Collaborative development of predictive toxicology applications
Barry Hardy, Nicki Douglas, Christoph Helma, et al.
Page
of 1