BibTeX records: Thierry Kogej

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@article{DBLP:journals/jcisd/BuendiaKECLJTA19,
  author    = {Rub{\'{e}}n Buend{\'{\i}}a and
               Thierry Kogej and
               Ola Engkvist and
               Lars Carlsson and
               Henrik Linusson and
               Ulf Johansson and
               Paolo Toccaceli and
               Ernst Ahlberg},
  title     = {Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors},
  journal   = {J. Chem. Inf. Model.},
  volume    = {59},
  number    = {3},
  pages     = {1230--1237},
  year      = {2019},
  url       = {https://doi.org/10.1021/acs.jcim.8b00724},
  doi       = {10.1021/acs.jcim.8b00724},
  timestamp = {Thu, 21 Jan 2021 00:00:00 +0100},
  biburl    = {https://dblp.org/rec/journals/jcisd/BuendiaKECLJTA19.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/copa/BuendiaECKA18,
  author    = {Rub{\'{e}}n Buend{\'{\i}}a and
               Ola Engkvist and
               Lars Carlsson and
               Thierry Kogej and
               Ernst Ahlberg},
  editor    = {Alex J. Gammerman and
               Vladimir Vovk and
               Zhiyuan Luo and
               Evgueni N. Smirnov and
               Ralf L. M. Peeters},
  title     = {Venn-Abers predictors for improved compound iterative screening in
               drug discovery},
  booktitle = {7th Symposium on Conformal and Probabilistic Prediction and Applications,
               {COPA} 2018, 11-13 June 2018, Maastricht, The Netherlands},
  series    = {Proceedings of Machine Learning Research},
  volume    = {91},
  pages     = {201--219},
  publisher = {{PMLR}},
  year      = {2018},
  url       = {http://proceedings.mlr.press/v91/buendia18a.html},
  timestamp = {Wed, 17 Jun 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/conf/copa/BuendiaECKA18.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/VerrasWGGKRPSCG17,
  author    = {Andreas Verras and
               Chris L. Waller and
               Peter Gedeck and
               Darren V. S. Green and
               Thierry Kogej and
               Anandkumar Raichurkar and
               Manoranjan Panda and
               Anang A. Shelat and
               Julie Clark and
               R. Kiplin Guy and
               George Papadatos and
               Jeremy N. Burrows},
  title     = {Shared Consensus Machine Learning Models for Predicting Blood Stage
               Malaria Inhibition},
  journal   = {J. Chem. Inf. Model.},
  volume    = {57},
  number    = {3},
  pages     = {445--453},
  year      = {2017},
  url       = {https://doi.org/10.1021/acs.jcim.6b00572},
  doi       = {10.1021/acs.jcim.6b00572},
  timestamp = {Sat, 05 Sep 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/jcisd/VerrasWGGKRPSCG17.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/SeglerKTW17,
  author    = {Marwin H. S. Segler and
               Thierry Kogej and
               Christian Tyrchan and
               Mark P. Waller},
  title     = {Generating Focussed Molecule Libraries for Drug Discovery with Recurrent
               Neural Networks},
  journal   = {CoRR},
  volume    = {abs/1701.01329},
  year      = {2017},
  url       = {http://arxiv.org/abs/1701.01329},
  archivePrefix = {arXiv},
  eprint    = {1701.01329},
  timestamp = {Mon, 13 Aug 2018 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/corr/SeglerKTW17.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/BuonfiglioEVHVB15,
  author    = {Rosa Buonfiglio and
               Ola Engkvist and
               P{\'{e}}ter L. V{\'{a}}rkonyi and
               Astrid Henz and
               Elisabet Vikeved and
               Anders Backlund and
               Thierry Kogej},
  title     = {Investigating Pharmacological Similarity by Charting Chemical Space},
  journal   = {J. Chem. Inf. Model.},
  volume    = {55},
  number    = {11},
  pages     = {2375--2390},
  year      = {2015},
  url       = {https://doi.org/10.1021/acs.jcim.5b00375},
  doi       = {10.1021/acs.jcim.5b00375},
  timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl    = {https://dblp.org/rec/journals/jcisd/BuonfiglioEVHVB15.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/VainioKRS13,
  author    = {Mikko J. Vainio and
               Thierry Kogej and
               Florian Raubacher and
               Jens Sadowski},
  title     = {Scaffold Hopping by Fragment Replacement},
  journal   = {J. Chem. Inf. Model.},
  volume    = {53},
  number    = {7},
  pages     = {1825--1835},
  year      = {2013},
  url       = {https://doi.org/10.1021/ci4001019},
  doi       = {10.1021/ci4001019},
  timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl    = {https://dblp.org/rec/journals/jcisd/VainioKRS13.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/VainioKR12,
  author    = {Mikko J. Vainio and
               Thierry Kogej and
               Florian Raubacher},
  title     = {Automated Recycling of Chemistry for Virtual Screening and Library
               Design},
  journal   = {J. Chem. Inf. Model.},
  volume    = {52},
  number    = {7},
  pages     = {1777--1786},
  year      = {2012},
  url       = {https://doi.org/10.1021/ci300157m},
  doi       = {10.1021/ci300157m},
  timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl    = {https://dblp.org/rec/journals/jcisd/VainioKR12.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/RosenLKMGB09,
  author    = {Josefin Ros{\'{e}}n and
               Anders L{\"{o}}vgren and
               Thierry Kogej and
               Sorel Muresan and
               Johan Gottfries and
               Anders Backlund},
  title     = {ChemGPS-NP\({}_{\mbox{Web}}\): chemical space navigation online},
  journal   = {J. Comput. Aided Mol. Des.},
  volume    = {23},
  number    = {4},
  pages     = {253--259},
  year      = {2009},
  url       = {https://doi.org/10.1007/s10822-008-9255-y},
  doi       = {10.1007/s10822-008-9255-y},
  timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
  biburl    = {https://dblp.org/rec/journals/jcamd/RosenLKMGB09.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SteffenKTE09,
  author    = {Andreas Steffen and
               Thierry Kogej and
               Christian Tyrchan and
               Ola Engkvist},
  title     = {Comparison of Molecular Fingerprint Methods on the Basis of Biological
               Profile Data},
  journal   = {J. Chem. Inf. Model.},
  volume    = {49},
  number    = {2},
  pages     = {338--347},
  year      = {2009},
  url       = {https://doi.org/10.1021/ci800326z},
  doi       = {10.1021/ci800326z},
  timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl    = {https://dblp.org/rec/journals/jcisd/SteffenKTE09.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/ChenBEKSBWBL09,
  author    = {Hongming Chen and
               Ulf Borjesson and
               Ola Engkvist and
               Thierry Kogej and
               Mats Svensson and
               Niklas Blomberg and
               Dirk Weigelt and
               Jeremy N. Burrows and
               Tim Lange},
  title     = {ProSAR: {A} New Methodology for Combinatorial Library Design},
  journal   = {J. Chem. Inf. Model.},
  volume    = {49},
  number    = {3},
  pages     = {603--614},
  year      = {2009},
  url       = {https://doi.org/10.1021/ci800231d},
  doi       = {10.1021/ci800231d},
  timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl    = {https://dblp.org/rec/journals/jcisd/ChenBEKSBWBL09.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KogejEBM06,
  author    = {Thierry Kogej and
               Ola Engkvist and
               Niklas Blomberg and
               Sorel Muresan},
  title     = {Multifingerprint Based Similarity Searches for Targeted Class Compound
               Selection},
  journal   = {J. Chem. Inf. Model.},
  volume    = {46},
  number    = {3},
  pages     = {1201--1213},
  year      = {2006},
  url       = {https://doi.org/10.1021/ci0504723},
  doi       = {10.1021/ci0504723},
  timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl    = {https://dblp.org/rec/journals/jcisd/KogejEBM06.bib},
  bibsource = {dblp computer science bibliography, https://dblp.org}
}
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