BibTeX records: Antonius ter Laak

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@article{DBLP:journals/jcheminf/DutschmannKLB23,
  author       = {Thomas{-}Martin Dutschmann and
                  Lennart Kinzel and
                  Antonius ter Laak and
                  Knut Baumann},
  title        = {Large-scale evaluation of k-fold cross-validation ensembles for uncertainty
                  estimation},
  journal      = {J. Cheminformatics},
  volume       = {15},
  number       = {1},
  pages        = {49},
  year         = {2023},
  url          = {https://doi.org/10.1186/s13321-023-00709-9},
  doi          = {10.1186/S13321-023-00709-9},
  timestamp    = {Mon, 05 Feb 2024 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/DutschmannKLB23.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/KuhnkeLG19,
  author       = {Lara Kuhnke and
                  Antonius ter Laak and
                  Andreas H. G{\"{o}}ller},
  title        = {Mechanistic Reactivity Descriptors for the Prediction of Ames Mutagenicity
                  of Primary Aromatic Amines},
  journal      = {J. Chem. Inf. Model.},
  volume       = {59},
  number       = {2},
  pages        = {668--672},
  year         = {2019},
  url          = {https://doi.org/10.1021/acs.jcim.8b00758},
  doi          = {10.1021/ACS.JCIM.8B00758},
  timestamp    = {Tue, 01 Jun 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/KuhnkeLG19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/KlingspohnMLHB17,
  author       = {Waldemar Klingspohn and
                  Miriam Mathea and
                  Antonius ter Laak and
                  Nikolaus Heinrich and
                  Knut Baumann},
  title        = {Efficiency of different measures for defining the applicability domain
                  of classification models},
  journal      = {J. Cheminformatics},
  volume       = {9},
  number       = {1},
  pages        = {44},
  year         = {2017},
  url          = {https://doi.org/10.1186/s13321-017-0230-2},
  doi          = {10.1186/S13321-017-0230-2},
  timestamp    = {Sat, 09 Apr 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/KlingspohnMLHB17.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/DijkLWCVG17,
  author       = {Marc van Dijk and
                  Antonius ter Laak and
                  J{\"{o}}rg D. Wichard and
                  Luigi Capoferri and
                  Nico P. E. Vermeulen and
                  Daan P. Geerke},
  title        = {Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity
                  Prediction for Multifarious Cytochrome {P450} Aromatase Inhibitors},
  journal      = {J. Chem. Inf. Model.},
  volume       = {57},
  number       = {9},
  pages        = {2294--2308},
  year         = {2017},
  url          = {https://doi.org/10.1021/acs.jcim.7b00222},
  doi          = {10.1021/ACS.JCIM.7B00222},
  timestamp    = {Mon, 28 Aug 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/DijkLWCVG17.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/MohrJSLSHO10,
  author       = {Johannes Mohr and
                  Brijnesh J. Jain and
                  Andreas Sutter and
                  Antonius ter Laak and
                  Thomas Steger{-}Hartmann and
                  Nikolaus Heinrich and
                  Klaus Obermayer},
  title        = {A Maximum Common Subgraph Kernel Method for Predicting the Chromosome
                  Aberration Test},
  journal      = {J. Chem. Inf. Model.},
  volume       = {50},
  number       = {10},
  pages        = {1821--1838},
  year         = {2010},
  url          = {https://doi.org/10.1021/ci900367j},
  doi          = {10.1021/CI900367J},
  timestamp    = {Mon, 26 Oct 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/MohrJSLSHO10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/HansenMSSLSHM09,
  author       = {Katja Hansen and
                  Sebastian Mika and
                  Timon Schroeter and
                  Andreas Sutter and
                  Antonius ter Laak and
                  Thomas Steger{-}Hartmann and
                  Nikolaus Heinrich and
                  Klaus{-}Robert M{\"{u}}ller},
  title        = {Benchmark Data Set for in Silico Prediction of Ames Mutagenicity},
  journal      = {J. Chem. Inf. Model.},
  volume       = {49},
  number       = {9},
  pages        = {2077--2081},
  year         = {2009},
  url          = {https://doi.org/10.1021/ci900161g},
  doi          = {10.1021/CI900161G},
  timestamp    = {Mon, 26 Oct 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/HansenMSSLSHM09.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/SchwaighoferSMHLLRHM08,
  author       = {Anton Schwaighofer and
                  Timon Schroeter and
                  Sebastian Mika and
                  Katja Hansen and
                  Antonius ter Laak and
                  Philip Lienau and
                  Andreas Reichel and
                  Nikolaus Heinrich and
                  Klaus{-}Robert M{\"{u}}ller},
  title        = {A Probabilistic Approach to Classifying Metabolic Stability},
  journal      = {J. Chem. Inf. Model.},
  volume       = {48},
  number       = {4},
  pages        = {785--796},
  year         = {2008},
  url          = {https://doi.org/10.1021/ci700142c},
  doi          = {10.1021/CI700142C},
  timestamp    = {Sat, 30 Sep 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcisd/SchwaighoferSMHLLRHM08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@inproceedings{DBLP:conf/fuzzIEEE/WichardKL08,
  author       = {J{\"{o}}rg D. Wichard and
                  Ronald K{\"{u}}hne and
                  Antonius ter Laak},
  title        = {Binding site detection via mutual information},
  booktitle    = {{FUZZ-IEEE} 2008, {IEEE} International Conference on Fuzzy Systems,
                  Hong Kong, China, 1-6 June, 2008, Proceedings},
  pages        = {1770--1776},
  publisher    = {{IEEE}},
  year         = {2008},
  url          = {https://doi.org/10.1109/FUZZY.2008.4630610},
  doi          = {10.1109/FUZZY.2008.4630610},
  timestamp    = {Wed, 16 Oct 2019 14:14:52 +0200},
  biburl       = {https://dblp.org/rec/conf/fuzzIEEE/WichardKL08.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcamd/SchroeterSMLSGHM07,
  author       = {Timon Schroeter and
                  Anton Schwaighofer and
                  Sebastian Mika and
                  Antonius ter Laak and
                  Detlev S{\"{u}}lzle and
                  Ursula Ganzer and
                  Nikolaus Heinrich and
                  Klaus{-}Robert M{\"{u}}ller},
  title        = {Estimating the domain of applicability for machine learning {QSAR}
                  models: a study on aqueous solubility of drug discovery molecules},
  journal      = {J. Comput. Aided Mol. Des.},
  volume       = {21},
  number       = {9},
  pages        = {485--498},
  year         = {2007},
  url          = {https://doi.org/10.1007/s10822-007-9125-z},
  doi          = {10.1007/S10822-007-9125-Z},
  timestamp    = {Mon, 26 Oct 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcamd/SchroeterSMLSGHM07.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcamd/SchroeterSMLSGHM07a,
  author       = {Timon Schroeter and
                  Anton Schwaighofer and
                  Sebastian Mika and
                  Antonius ter Laak and
                  Detlev S{\"{u}}lzle and
                  Ursula Ganzer and
                  Nikolaus Heinrich and
                  Klaus{-}Robert M{\"{u}}ller},
  title        = {Estimating the domain of applicability for machine learning {QSAR}
                  models: a study on aqueous solubility of drug discovery molecules},
  journal      = {J. Comput. Aided Mol. Des.},
  volume       = {21},
  number       = {12},
  pages        = {651--664},
  year         = {2007},
  url          = {https://doi.org/10.1007/s10822-007-9160-9},
  doi          = {10.1007/S10822-007-9160-9},
  timestamp    = {Mon, 03 Jan 2022 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcamd/SchroeterSMLSGHM07a.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/SchwaighoferSMLLSGHM07,
  author       = {Anton Schwaighofer and
                  Timon Schroeter and
                  Sebastian Mika and
                  Julian Laub and
                  Antonius ter Laak and
                  Detlev S{\"{u}}lzle and
                  Ursula Ganzer and
                  Nikolaus Heinrich and
                  Klaus{-}Robert M{\"{u}}ller},
  title        = {Accurate Solubility Prediction with Error Bars for Electrolytes: {A}
                  Machine Learning Approach},
  journal      = {J. Chem. Inf. Model.},
  volume       = {47},
  number       = {2},
  pages        = {407--424},
  year         = {2007},
  url          = {https://doi.org/10.1021/ci600205g},
  doi          = {10.1021/CI600205G},
  timestamp    = {Mon, 26 Oct 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/SchwaighoferSMLLSGHM07.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}
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