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BibTeX records: Hans Matter
@article{DBLP:journals/jcisd/SauerMHG23, author = {Susanne Sauer and Hans Matter and Gerhard Hessler and Christoph Grebner}, title = {Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning}, journal = {J. Chem. Inf. Model.}, volume = {63}, number = {18}, pages = {5709--5726}, year = {2023}, url = {https://doi.org/10.1021/acs.jcim.3c00735}, doi = {10.1021/ACS.JCIM.3C00735}, timestamp = {Sat, 14 Oct 2023 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/SauerMHG23.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/HarrenMHRG22, author = {Tobias Harren and Hans Matter and Gerhard Hessler and Matthias Rarey and Christoph Grebner}, title = {Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence}, journal = {J. Chem. Inf. Model.}, volume = {62}, number = {3}, pages = {447--462}, year = {2022}, url = {https://doi.org/10.1021/acs.jcim.1c01263}, doi = {10.1021/ACS.JCIM.1C01263}, timestamp = {Sat, 30 Sep 2023 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/HarrenMHRG22.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/CappelJHM20, author = {Daniel Cappel and Steven Jerome and Gerhard Hessler and Hans Matter}, title = {Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations}, journal = {J. Chem. Inf. Model.}, volume = {60}, number = {3}, pages = {1432--1444}, year = {2020}, url = {https://doi.org/10.1021/acs.jcim.9b01118}, doi = {10.1021/ACS.JCIM.9B01118}, timestamp = {Tue, 01 Jun 2021 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/CappelJHM20.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/MatterBSRH20, author = {Hans Matter and Christian Buning and Dan Dragos Stefanescu and Sven Ruf and Gerhard Hessler}, title = {Using Graph Databases to Investigate Trends in Structure-Activity Relationship Networks}, journal = {J. Chem. Inf. Model.}, volume = {60}, number = {12}, pages = {6120--6134}, year = {2020}, url = {https://doi.org/10.1021/acs.jcim.0c00947}, doi = {10.1021/ACS.JCIM.0C00947}, timestamp = {Wed, 01 Sep 2021 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/MatterBSRH20.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/WenzelMS19, author = {Jan Wenzel and Hans Matter and K. Friedemann Schmidt}, title = {Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data Sets}, journal = {J. Chem. Inf. Model.}, volume = {59}, number = {3}, pages = {1253--1268}, year = {2019}, url = {https://doi.org/10.1021/acs.jcim.8b00785}, doi = {10.1021/ACS.JCIM.8B00785}, timestamp = {Sat, 30 Sep 2023 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/WenzelMS19.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/GussregenMHLHK17, author = {Stefan G{\"{u}}ssregen and Hans Matter and Gerhard Hessler and Evanthia Lionta and Jochen Heil and Stefan M. Kast}, title = {Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series}, journal = {J. Chem. Inf. Model.}, volume = {57}, number = {7}, pages = {1652--1666}, year = {2017}, url = {https://doi.org/10.1021/acs.jcim.6b00765}, doi = {10.1021/ACS.JCIM.6B00765}, timestamp = {Mon, 28 Aug 2023 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/GussregenMHLHK17.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcheminf/KerdawyGMHC14, author = {Ahmed M. El Kerdawy and Stefan G{\"{u}}ssregen and Hans Matter and Matthias Hennemann and Timothy Clark}, title = {Quantum-mechanics-based molecular interaction fields for 3D-QSAR}, journal = {J. Cheminformatics}, volume = {6}, number = {{S-1}}, pages = {10}, year = {2014}, url = {https://doi.org/10.1186/1758-2946-6-S1-O10}, doi = {10.1186/1758-2946-6-S1-O10}, timestamp = {Tue, 04 Oct 2022 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcheminf/KerdawyGMHC14.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/KerdawyGMHC13, author = {Ahmed M. El Kerdawy and Stefan G{\"{u}}ssregen and Hans Matter and Matthias Hennemann and Timothy Clark}, title = {Quantum Mechanics-Based Properties for 3D-QSAR}, journal = {J. Chem. Inf. Model.}, volume = {53}, number = {6}, pages = {1486--1502}, year = {2013}, url = {https://doi.org/10.1021/ci400181b}, doi = {10.1021/CI400181B}, timestamp = {Tue, 04 Oct 2022 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/KerdawyGMHC13.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/GussregenMHMSC12, author = {Stefan G{\"{u}}ssregen and Hans Matter and Gerhard Hessler and Marco M{\"{u}}ller and K. Friedemann Schmidt and Timothy Clark}, title = {3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions}, journal = {J. Chem. Inf. Model.}, volume = {52}, number = {9}, pages = {2441--2453}, year = {2012}, url = {https://doi.org/10.1021/ci300253z}, doi = {10.1021/CI300253Z}, timestamp = {Fri, 06 Mar 2020 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/GussregenMHMSC12.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/MatterP99, author = {Hans Matter and Thorsten P{\"{o}}tter}, title = {Comparing 3D Pharmacophore Triplets and 2D Fingerprints for Selecting Diverse Compound Subsets}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {39}, number = {6}, pages = {1211--1225}, year = {1999}, url = {https://doi.org/10.1021/ci980185h}, doi = {10.1021/CI980185H}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/MatterP99.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
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