Martin Gütlein

Johannes Gutenberg University Mainz — Germany

Computer Science · Physical Sciences

10h-index995citations13works0.02yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Computational Drug Discovery Methods(10), Metabolomics and Mass Spectrometry Studies(3), Analytical Chemistry and Chromatography(3), Machine Learning in Materials Science(3), Protein Structure and Dynamics(1)

Publications13 total

Modeling Chronic Toxicity: A Comparison of Experimental Variability With (Q)SAR/Read-Across Predictions
Frontiers in Pharmacology·2018· 17 citedOpen Access
Eawag-Soil in enviPath: a new resource for exploring regulatory pesticide soil biodegradation pathways and half-life data
Environmental Science Processes & Impacts·2017· 58 cited
Filtered circular fingerprints improve either prediction or runtime performance while retaining interpretability
Journal of Cheminformatics·2016· 35 citedOpen Access
Innovative Strategies to Develop Chemical Categories Using a Combination of Structural and Toxicological Properties
Frontiers in Pharmacology·2016· 7 citedOpen Access
enviPath – The environmental contaminant biotransformation pathway resource
Nucleic Acids Research·2015· 195 citedOpen Access
Optimization of curation of the dataset with data on repeated dose toxicity
Toxicology Letters·2015
CheS-Mapper 2.0 for visual validation of (Q)SAR models
Journal of Cheminformatics·2014· 20 citedOpen Access
Erratum: A Large‐Scale Empirical Evaluation of Cross‐Validation and External Test Set Validation in (Q)SAR
Molecular Informatics·2013· 1 citedOpen Access
A Large‐Scale Empirical Evaluation of Cross‐Validation and External Test Set Validation in (Q)SAR
Molecular Informatics·2013· 61 cited
lazar: a modular predictive toxicology framework
Frontiers in Pharmacology·2013· 169 citedOpen Access
CheS-Mapper - Chemical Space Mapping and Visualization in 3D
Journal of Cheminformatics·2012· 57 citedOpen Access
Collaborative development of predictive toxicology applications
Journal of Cheminformatics·2010· 109 citedOpen Access
Large-scale attribute selection using wrappers
2009· 266 citedOpen Access

Frequent Co-authors

Andreas Karwath(6), Stefan Krämer(6), Christoph Helma(6), Jörg Wicker(3), Andreas Maunz(3), Emanuel Schmid(2), Diogo A. R. S. Latino(2), Kathrin Fenner(2), Micha Rautenberg(2), David Vorgrimmler(2), Denis Gebele(2), Stefan Krämer(2), Monika Batke(2), Falko Partosch(2), Ursula Gundert‐Remy(2), Madeleine Seeland(2), Annette Bitsch(2), Eibe Frank(1), Mark Hall(1), Tim Lorsbach(1)