BibTeX records: Christopher M. Grulke

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@article{DBLP:journals/biodatamining/BundyJWGSE22,
  author       = {Joseph L. Bundy and
                  Richard S. Judson and
                  Antony J. Williams and
                  Christopher M. Grulke and
                  Imran Shah and
                  Logan J. Everett},
  title        = {Predicting molecular initiating events using chemical target annotations
                  and gene expression},
  journal      = {BioData Min.},
  volume       = {15},
  number       = {1},
  year         = {2022},
  url          = {https://doi.org/10.1186/s13040-022-00292-z},
  doi          = {10.1186/S13040-022-00292-Z},
  timestamp    = {Tue, 06 Dec 2022 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/biodatamining/BundyJWGSE22.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/KolmarG21,
  author       = {Scott S. Kolmar and
                  Christopher M. Grulke},
  title        = {The effect of noise on the predictive limit of {QSAR} models},
  journal      = {J. Cheminformatics},
  volume       = {13},
  number       = {1},
  pages        = {92},
  year         = {2021},
  url          = {https://doi.org/10.1186/s13321-021-00571-7},
  doi          = {10.1186/S13321-021-00571-7},
  timestamp    = {Wed, 15 Dec 2021 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/KolmarG21.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/MansouriCKTGSAC19,
  author       = {Kamel Mansouri and
                  Neal F. Cariello and
                  Alexandru Korotcov and
                  Valery Tkachenko and
                  Christopher M. Grulke and
                  Catherine S. Sprankle and
                  David G. Allen and
                  Warren M. Casey and
                  Nicole C. Kleinstreuer and
                  Antony J. Williams},
  title        = {Open-source {QSAR} models for pKa prediction using multiple machine
                  learning approaches},
  journal      = {J. Cheminformatics},
  volume       = {11},
  number       = {1},
  pages        = {60:1--60:20},
  year         = {2019},
  url          = {https://doi.org/10.1186/s13321-019-0384-1},
  doi          = {10.1186/S13321-019-0384-1},
  timestamp    = {Sat, 30 May 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/MansouriCKTGSAC19.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/MansouriGJW18,
  author       = {Kamel Mansouri and
                  Christopher M. Grulke and
                  Richard S. Judson and
                  Antony J. Williams},
  title        = {{OPERA} models for predicting physicochemical properties and environmental
                  fate endpoints},
  journal      = {J. Cheminformatics},
  volume       = {10},
  number       = {1},
  pages        = {10:1--10:19},
  year         = {2018},
  url          = {https://doi.org/10.1186/s13321-018-0263-1},
  doi          = {10.1186/S13321-018-0263-1},
  timestamp    = {Fri, 30 Nov 2018 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/MansouriGJW18.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/McEachranMGSRW18,
  author       = {Andrew D. McEachran and
                  Kamel Mansouri and
                  Christopher M. Grulke and
                  Emma Schymanski and
                  Christoph Ruttkies and
                  Antony J. Williams},
  title        = {"MS-Ready" structures for non-targeted high-resolution mass
                  spectrometry screening studies},
  journal      = {J. Cheminformatics},
  volume       = {10},
  number       = {1},
  pages        = {45:1--45:16},
  year         = {2018},
  url          = {https://doi.org/10.1186/s13321-018-0299-2},
  doi          = {10.1186/S13321-018-0299-2},
  timestamp    = {Fri, 09 Apr 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/McEachranMGSRW18.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/WilliamsGEMMBPS17,
  author       = {Antony J. Williams and
                  Christopher M. Grulke and
                  Jeff Edwards and
                  Andrew D. McEachran and
                  Kamel Mansouri and
                  Nancy C. Baker and
                  Grace Patlewicz and
                  Imran Shah and
                  John Wambaugh and
                  Richard S. Judson and
                  Ann M. Richard},
  title        = {The CompTox Chemistry Dashboard: a community data resource for environmental
                  chemistry},
  journal      = {J. Cheminformatics},
  volume       = {9},
  number       = {1},
  pages        = {61:1--61:27},
  year         = {2017},
  url          = {https://doi.org/10.1186/s13321-017-0247-6},
  doi          = {10.1186/S13321-017-0247-6},
  timestamp    = {Fri, 30 Nov 2018 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/WilliamsGEMMBPS17.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/ploscb/LuGGCBLPHFTJDT16,
  author       = {Jingtao Lu and
                  Michael{-}Rock Goldsmith and
                  Christopher M. Grulke and
                  Daniel T. Chang and
                  Raina D. Brooks and
                  Jeremy A. Leonard and
                  Martin B. Phillips and
                  Ethan D. Hypes and
                  Matthew J. Fair and
                  Rogelio Tornero{-}Velez and
                  Jeffre Johnson and
                  Curtis C. Dary and
                  Yu{-}Mei Tan},
  title        = {Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase
                  in Support of Provisional Model Construction},
  journal      = {PLoS Comput. Biol.},
  volume       = {12},
  number       = {2},
  year         = {2016},
  url          = {https://doi.org/10.1371/journal.pcbi.1004495},
  doi          = {10.1371/JOURNAL.PCBI.1004495},
  timestamp    = {Sat, 30 Sep 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/ploscb/LuGGCBLPHFTJDT16.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/MartinGYRWJB13,
  author       = {Todd Martin and
                  Christopher M. Grulke and
                  Douglas M. Young and
                  Christine L. Russom and
                  Nina Y. Wang and
                  Crystal R. Jackson and
                  Mace G. Barron},
  title        = {Prediction of Aquatic Toxicity Mode of Action Using Linear Discriminant
                  and Random Forest Models},
  journal      = {J. Chem. Inf. Model.},
  volume       = {53},
  number       = {9},
  pages        = {2229--2239},
  year         = {2013},
  url          = {https://doi.org/10.1021/ci400267h},
  doi          = {10.1021/CI400267H},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/MartinGYRWJB13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/bioinformatics/WalkerGPT10,
  author       = {Theo Walker and
                  Christopher M. Grulke and
                  Diane Pozefsky and
                  Alexander Tropsha},
  title        = {Chembench: a cheminformatics workbench},
  journal      = {Bioinform.},
  volume       = {26},
  number       = {23},
  pages        = {3000--3001},
  year         = {2010},
  url          = {https://doi.org/10.1093/bioinformatics/btq556},
  doi          = {10.1093/BIOINFORMATICS/BTQ556},
  timestamp    = {Mon, 02 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/bioinformatics/WalkerGPT10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}