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BibTeX records: Kimito Funatsu
@article{DBLP:journals/jcamd/SatoMJF21, author = {Akinori Sato and Tomoyuki Miyao and Swarit Jasial and Kimito Funatsu}, title = {Comparing predictive ability of {QSAR/QSPR} models using 2D and 3D molecular representations}, journal = {J. Comput. Aided Mol. Des.}, volume = {35}, number = {2}, pages = {179--193}, year = {2021}, url = {https://doi.org/10.1007/s10822-020-00361-7}, doi = {10.1007/S10822-020-00361-7}, timestamp = {Sat, 30 Sep 2023 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/SatoMJF21.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/NakanoMJF21, author = {Hiroshi Nakano and Tomoyuki Miyao and Swarit Jasial and Kimito Funatsu}, title = {Sparse Topological Pharmacophore Graphs for Interpretable Scaffold Hopping}, journal = {J. Chem. Inf. Model.}, volume = {61}, number = {7}, pages = {3348--3360}, year = {2021}, url = {https://doi.org/10.1021/acs.jcim.1c00409}, doi = {10.1021/ACS.JCIM.1C00409}, timestamp = {Sat, 30 Sep 2023 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/NakanoMJF21.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcheminf/ChenTKF20, author = {Chia{-}Hsiu Chen and Kenichi Tanaka and Masaaki Kotera and Kimito Funatsu}, title = {Comparison and improvement of the predictability and interpretability with ensemble learning models in {QSPR} applications}, journal = {J. Cheminformatics}, volume = {12}, number = {1}, pages = {19}, year = {2020}, url = {https://doi.org/10.1186/s13321-020-0417-9}, doi = {10.1186/S13321-020-0417-9}, timestamp = {Fri, 14 Aug 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcheminf/ChenTKF20.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/NakanoMF20, author = {Hiroshi Nakano and Tomoyuki Miyao and Kimito Funatsu}, title = {Exploring Topological Pharmacophore Graphs for Scaffold Hopping}, journal = {J. Chem. Inf. Model.}, volume = {60}, number = {4}, pages = {2073--2081}, year = {2020}, url = {https://doi.org/10.1021/acs.jcim.0c00098}, doi = {10.1021/ACS.JCIM.0C00098}, timestamp = {Tue, 21 Mar 2023 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/NakanoMF20.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/bmcbi/AmanoMTFK19, author = {Kohei Amano and Tsubasa Matsumoto and Kenichi Tanaka and Kimito Funatsu and Masaaki Kotera}, title = {Metabolic disassembler for understanding and predicting the biosynthetic units of natural products}, journal = {{BMC} Bioinform.}, volume = {20}, number = {1}, pages = {728}, year = {2019}, url = {https://doi.org/10.1186/s12859-019-3183-9}, doi = {10.1186/S12859-019-3183-9}, timestamp = {Sat, 30 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/bmcbi/AmanoMTFK19.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/MiyaoJBF19, author = {Tomoyuki Miyao and Swarit Jasial and J{\"{u}}rgen Bajorath and Kimito Funatsu}, title = {Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationships}, journal = {J. Comput. Aided Mol. Des.}, volume = {33}, number = {8}, pages = {729--743}, year = {2019}, url = {https://doi.org/10.1007/s10822-019-00218-8}, doi = {10.1007/S10822-019-00218-8}, timestamp = {Sat, 30 Sep 2023 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/MiyaoJBF19.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/MiyaoFB19, author = {Tomoyuki Miyao and Kimito Funatsu and J{\"{u}}rgen Bajorath}, title = {Exploring Alternative Strategies for the Identification of Potent Compounds Using Support Vector Machine and Regression Modeling}, journal = {J. Chem. Inf. Model.}, volume = {59}, number = {3}, pages = {983--992}, year = {2019}, url = {https://doi.org/10.1021/acs.jcim.8b00584}, doi = {10.1021/ACS.JCIM.8B00584}, timestamp = {Tue, 01 Jun 2021 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/MiyaoFB19.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/MiyaoFB19a, author = {Tomoyuki Miyao and Kimito Funatsu and J{\"{u}}rgen Bajorath}, title = {Three-Dimensional Activity Landscape Models of Different Design and Their Application to Compound Mapping and Potency Prediction}, journal = {J. Chem. Inf. Model.}, volume = {59}, number = {3}, pages = {993--1004}, year = {2019}, url = {https://doi.org/10.1021/acs.jcim.8b00661}, doi = {10.1021/ACS.JCIM.8B00661}, timestamp = {Tue, 01 Jun 2021 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/MiyaoFB19a.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/MiyaoF19, author = {Tomoyuki Miyao and Kimito Funatsu}, title = {Iterative Screening Methods for Identification of Chemical Compounds with Specific Values of Various Properties}, journal = {J. Chem. Inf. Model.}, volume = {59}, number = {6}, pages = {2626--2641}, year = {2019}, url = {https://doi.org/10.1021/acs.jcim.9b00093}, doi = {10.1021/ACS.JCIM.9B00093}, timestamp = {Tue, 01 Jun 2021 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/MiyaoF19.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/TamuraMF19, author = {Shunsuke Tamura and Tomoyuki Miyao and Kimito Funatsu}, title = {Development of R-Group Fingerprints Based on the Local Landscape from an Attachment Point of a Molecular Structure}, journal = {J. Chem. Inf. Model.}, volume = {59}, number = {6}, pages = {2656--2663}, year = {2019}, url = {https://doi.org/10.1021/acs.jcim.9b00122}, doi = {10.1021/ACS.JCIM.9B00122}, timestamp = {Thu, 23 Jun 2022 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/TamuraMF19.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/cce/ShibayamaKF18, author = {Shojiro Shibayama and Hiromasa Kaneko and Kimito Funatsu}, title = {Formulation of the excess absorption in infrared spectra by numerical decomposition for effective process monitoring}, journal = {Comput. Chem. Eng.}, volume = {113}, pages = {86--97}, year = {2018}, url = {https://doi.org/10.1016/j.compchemeng.2018.01.025}, doi = {10.1016/J.COMPCHEMENG.2018.01.025}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/cce/ShibayamaKF18.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/cce/EscobarKF17, author = {Matheus S. Escobar and Hiromasa Kaneko and Kimito Funatsu}, title = {On Generative Topographic Mapping and Graph Theory combined approach for unsupervised non-linear data visualization and fault identification}, journal = {Comput. Chem. Eng.}, volume = {98}, pages = {113--127}, year = {2017}, url = {https://doi.org/10.1016/j.compchemeng.2016.12.009}, doi = {10.1016/J.COMPCHEMENG.2016.12.009}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/cce/EscobarKF17.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/f1000research/MiyaoFB17, author = {Tomoyuki Miyao and Kimito Funatsu and J{\"{u}}rgen Bajorath}, title = {Exploring differential evolution for inverse {QSAR} analysis}, journal = {F1000Research}, volume = {6}, pages = {1285}, year = {2017}, url = {https://doi.org/10.12688/f1000research.12228.1}, doi = {10.12688/F1000RESEARCH.12228.1}, timestamp = {Mon, 26 Jun 2023 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/f1000research/MiyaoFB17.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/MiyaoKF16, author = {Tomoyuki Miyao and Hiromasa Kaneko and Kimito Funatsu}, title = {Ring system-based chemical graph generation for de novo molecular design}, journal = {J. Comput. Aided Mol. Des.}, volume = {30}, number = {5}, pages = {425--446}, year = {2016}, url = {https://doi.org/10.1007/s10822-016-9916-1}, doi = {10.1007/S10822-016-9916-1}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/MiyaoKF16.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/MiyaoKF16, author = {Tomoyuki Miyao and Hiromasa Kaneko and Kimito Funatsu}, title = {Inverse {QSPR/QSAR} Analysis for Chemical Structure Generation (from \emph{y} to x)}, journal = {J. Chem. Inf. Model.}, volume = {56}, number = {2}, pages = {286--299}, year = {2016}, url = {https://doi.org/10.1021/acs.jcim.5b00628}, doi = {10.1021/ACS.JCIM.5B00628}, timestamp = {Fri, 06 Mar 2020 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/MiyaoKF16.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/TakedaKF16, author = {Shunichi Takeda and Hiromasa Kaneko and Kimito Funatsu}, title = {Chemical-Space-Based de Novo Design Method To Generate Drug-Like Molecules}, journal = {J. Chem. Inf. Model.}, volume = {56}, number = {10}, pages = {1885--1893}, year = {2016}, url = {https://doi.org/10.1021/acs.jcim.6b00038}, doi = {10.1021/ACS.JCIM.6B00038}, timestamp = {Fri, 06 Mar 2020 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/TakedaKF16.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/KanekoF14, author = {Hiromasa Kaneko and Kimito Funatsu}, title = {Applicability Domain Based on Ensemble Learning in Classification and Regression Analyses}, journal = {J. Chem. Inf. Model.}, volume = {54}, number = {9}, pages = {2469--2482}, year = {2014}, url = {https://doi.org/10.1021/ci500364e}, doi = {10.1021/CI500364E}, timestamp = {Fri, 06 Mar 2020 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/KanekoF14.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@inproceedings{DBLP:conf/ieaaie/KanekoF14, author = {Hiromasa Kaneko and Kimito Funatsu}, editor = {Moonis Ali and Jeng{-}Shyang Pan and Shyi{-}Ming Chen and Mong{-}Fong Horng}, title = {Automatic Database Monitoring for Process Control Systems}, booktitle = {Modern Advances in Applied Intelligence - 27th International Conference on Industrial Engineering and Other Applications of Applied Intelligent Systems, {IEA/AIE} 2014, Kaohsiung, Taiwan, June 3-6, 2014, Proceedings, Part {I}}, series = {Lecture Notes in Computer Science}, volume = {8481}, pages = {410--419}, publisher = {Springer}, year = {2014}, url = {https://doi.org/10.1007/978-3-319-07455-9\_43}, doi = {10.1007/978-3-319-07455-9\_43}, timestamp = {Fri, 03 Apr 2020 10:43:25 +0200}, biburl = {https://dblp.org/rec/conf/ieaaie/KanekoF14.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/cce/KanekoF13, author = {Hiromasa Kaneko and Kimito Funatsu}, title = {Adaptive soft sensor model using online support vector regression with time variable and discussion of appropriate hyperparameter settings and window size}, journal = {Comput. Chem. Eng.}, volume = {58}, pages = {288--297}, year = {2013}, url = {https://doi.org/10.1016/j.compchemeng.2013.07.016}, doi = {10.1016/J.COMPCHEMENG.2013.07.016}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/cce/KanekoF13.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/KanekoF13, author = {Hiromasa Kaneko and Kimito Funatsu}, title = {Criterion for Evaluating the Predictive Ability of Nonlinear Regression Models without Cross-Validation}, journal = {J. Chem. Inf. Model.}, volume = {53}, number = {9}, pages = {2341--2348}, year = {2013}, url = {https://doi.org/10.1021/ci4003766}, doi = {10.1021/CI4003766}, timestamp = {Fri, 06 Mar 2020 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/KanekoF13.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/KanekoAF13, author = {Hiromasa Kaneko and Masamoto Arakawa and Kimito Funatsu}, title = {Erratum for "Development of a New Regression Analysis Method Using Independent Component Analysis"}, journal = {J. Chem. Inf. Model.}, volume = {53}, number = {11}, pages = {3113}, year = {2013}, url = {https://doi.org/10.1021/ci400566e}, doi = {10.1021/CI400566E}, timestamp = {Fri, 06 Mar 2020 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/KanekoAF13.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@inproceedings{DBLP:conf/kes/KanekoF13, author = {Hiromasa Kaneko and Kimito Funatsu}, editor = {Junzo Watada and Lakhmi C. Jain and Robert J. Howlett and Naoto Mukai and Koichi Asakura}, title = {Adaptive Soft Sensor Model Using Online Support Vector Regression with the Time Variable and Discussion on Appropriate Parameter Settings}, booktitle = {17th International Conference in Knowledge Based and Intelligent Information and Engineering Systems, {KES} 2013, Kitakyushu, Japan, 9-11 September 2013}, series = {Procedia Computer Science}, volume = {22}, pages = {580--589}, publisher = {Elsevier}, year = {2013}, url = {https://doi.org/10.1016/j.procs.2013.09.138}, doi = {10.1016/J.PROCS.2013.09.138}, timestamp = {Thu, 08 Jul 2021 16:04:01 +0200}, biburl = {https://dblp.org/rec/conf/kes/KanekoF13.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/cce/KanekoAF11, author = {Hiromasa Kaneko and Masamoto Arakawa and Kimito Funatsu}, title = {Novel soft sensor method for detecting completion of transition in industrial polymer processes}, journal = {Comput. Chem. Eng.}, volume = {35}, number = {6}, pages = {1135--1142}, year = {2011}, url = {https://doi.org/10.1016/j.compchemeng.2010.09.003}, doi = {10.1016/J.COMPCHEMENG.2010.09.003}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/cce/KanekoAF11.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@inproceedings{DBLP:conf/ieaaie/KanekoF11, author = {Hiromasa Kaneko and Kimito Funatsu}, editor = {Kishan G. Mehrotra and Chilukuri K. Mohan and Jae C. Oh and Pramod K. Varshney and Moonis Ali}, title = {Improvement and Estimation of Prediction Accuracy of Soft Sensor Models Based on Time Difference}, booktitle = {Modern Approaches in Applied Intelligence - 24th International Conference on Industrial Engineering and Other Applications of Applied Intelligent Systems, {IEA/AIE} 2011, Syracuse, NY, USA, June 28 - July 1, 2011, Proceedings, Part {I}}, series = {Lecture Notes in Computer Science}, volume = {6703}, pages = {115--124}, publisher = {Springer}, year = {2011}, url = {https://doi.org/10.1007/978-3-642-21822-4\_13}, doi = {10.1007/978-3-642-21822-4\_13}, timestamp = {Sat, 19 Oct 2019 20:14:58 +0200}, biburl = {https://dblp.org/rec/conf/ieaaie/KanekoF11.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@inproceedings{DBLP:conf/iconas/KanekoAF09, author = {Hiromasa Kaneko and Masamoto Arakawa and Kimito Funatsu}, editor = {Erdal Kayakan}, title = {A novel soft sensor method detecting completion of transition for industrial polymer processes}, booktitle = {2nd {IFAC} International Conference on Intelligent Control Systems and Signal Processing, {ICONS} 2009, Istanbul, Turkey, September 21-23, 2009}, pages = {551--558}, publisher = {International Federation of Automatic Control}, year = {2009}, url = {https://doi.org/10.3182/20090921-3-TR-3005.00095}, doi = {10.3182/20090921-3-TR-3005.00095}, timestamp = {Tue, 09 Feb 2021 00:00:00 +0100}, biburl = {https://dblp.org/rec/conf/iconas/KanekoAF09.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/KanekoAF08, author = {Hiromasa Kaneko and Masamoto Arakawa and Kimito Funatsu}, title = {Development of a New Regression Analysis Method Using Independent Component Analysis}, journal = {J. Chem. Inf. Model.}, volume = {48}, number = {3}, pages = {534--541}, year = {2008}, url = {https://doi.org/10.1021/ci700245f}, doi = {10.1021/CI700245F}, timestamp = {Fri, 06 Mar 2020 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/KanekoAF08.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@inproceedings{DBLP:conf/kes/Funatsu05, author = {Kimito Funatsu}, editor = {Rajiv Khosla and Robert J. Howlett and Lakhmi C. Jain}, title = {A Novel Approach to Retrosynthetic Analysis Utilizing Knowledge Bases Derived from Reaction Databases}, booktitle = {Knowledge-Based Intelligent Information and Engineering Systems, 9th International Conference, {KES} 2005, Melbourne, Australia, September 14-16, 2005, Proceedings, Part {I}}, series = {Lecture Notes in Computer Science}, volume = {3681}, pages = {169--175}, publisher = {Springer}, year = {2005}, url = {https://doi.org/10.1007/11552413\_25}, doi = {10.1007/11552413\_25}, timestamp = {Tue, 14 May 2019 10:00:51 +0200}, biburl = {https://dblp.org/rec/conf/kes/Funatsu05.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/HasegawaAF03, author = {Kiyoshi Hasegawa and Masamoto Arakawa and Kimito Funatsu}, title = {Simultaneous determination of bioactive conformations and alignment rules by multi-way {PLS} modeling}, journal = {Comput. Biol. Chem.}, volume = {27}, number = {3}, pages = {211--216}, year = {2003}, url = {https://doi.org/10.1016/S0097-8485(02)00055-4}, doi = {10.1016/S0097-8485(02)00055-4}, timestamp = {Fri, 13 Mar 2020 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/HasegawaAF03.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/HasegawaMAF03, author = {Kiyoshi Hasegawa and Shigeo Matsuoka and Masamoto Arakawa and Kimito Funatsu}, title = {Multi-way {PLS} modeling of structure-activity data by incorporating electrostatic and lipophilic potentials on molecular surface}, journal = {Comput. Biol. Chem.}, volume = {27}, number = {3}, pages = {381--386}, year = {2003}, url = {https://doi.org/10.1016/S1476-9271(02)00101-9}, doi = {10.1016/S1476-9271(02)00101-9}, timestamp = {Fri, 13 Mar 2020 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/candc/HasegawaMAF03.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/ArakawaHF03, author = {Masamoto Arakawa and Kiyoshi Hasegawa and Kimito Funatsu}, title = {Novel Alignment Method of Small Molecules Using the Hopfield Neural Network}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {43}, number = {5}, pages = {1390--1395}, year = {2003}, url = {https://doi.org/10.1021/ci030001l}, doi = {10.1021/CI030001L}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/ArakawaHF03.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/ArakawaHF03a, author = {Masamoto Arakawa and Kiyoshi Hasegawa and Kimito Funatsu}, title = {Application of the Novel Molecular Alignment Method Using the Hopfield Neural Network to 3D-QSAR}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {43}, number = {5}, pages = {1396--1402}, year = {2003}, url = {https://doi.org/10.1021/ci030005q}, doi = {10.1021/CI030005Q}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/ArakawaHF03a.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/HasegawaMAF02, author = {Kiyoshi Hasegawa and Shigeo Matsuoka and Masamoto Arakawa and Kimito Funatsu}, title = {New Molecular Surface-based 3D-QSAR Method using Kohonen Neural Network and 3-way {PLS}}, journal = {Comput. Chem.}, volume = {26}, number = {6}, pages = {583--589}, year = {2002}, url = {https://doi.org/10.1016/S0097-8485(02)00023-2}, doi = {10.1016/S0097-8485(02)00023-2}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/HasegawaMAF02.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/SatohKFN01, author = {Hiroko Satoh and Hiroyuki Koshino and Kimito Funatsu and Tadashi Nakata}, title = {Representation of Molecular Configurations by {CAST} Coding Method}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {41}, number = {5}, pages = {1106--1112}, year = {2001}, url = {https://doi.org/10.1021/ci000136g}, doi = {10.1021/CI000136G}, timestamp = {Tue, 21 Mar 2023 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/SatohKFN01.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/SatohKFN00, author = {Hiroko Satoh and Hiroyuki Koshino and Kimito Funatsu and Tadashi Nakata}, title = {Novel Canonical Coding Method for Representation of Three-Dimensional Structures}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {40}, number = {3}, pages = {622--630}, year = {2000}, url = {https://doi.org/10.1021/ci990147d}, doi = {10.1021/CI990147D}, timestamp = {Tue, 21 Mar 2023 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/SatohKFN00.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/HasegawaKF99, author = {Kiyoshi Hasegawa and Toshiro Kimura and Kimito Funatsu}, title = {{GA} Strategy for Variable Selection in {QSAR} Studies: Application of GA-Based Region Selection to a 3D-QSAR Study of Acetylcholinesterase Inhibitors}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {39}, number = {1}, pages = {112--120}, year = {1999}, url = {https://doi.org/10.1021/ci980088o}, doi = {10.1021/CI980088O}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/HasegawaKF99.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/SatohF99, author = {Koji Satoh and Kimito Funatsu}, title = {A Novel Approach to Retrosynthetic Analysis Using Knowledge Bases Derived from Reaction Databases}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {39}, number = {2}, pages = {316--325}, year = {1999}, url = {https://doi.org/10.1021/ci980147y}, doi = {10.1021/CI980147Y}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/SatohF99.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/SatohIFTN99, author = {Hiroko Satoh and Sachiko Itono and Kimito Funatsu and Keiko Takano and Tadashi Nakata}, title = {A Novel Method for Characterization of Three-Dimensional Reaction Fields Based on Electrostatic and Steric Interactions toward the Goal of Quantitative Analysis and Understanding of Organic Reactions}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {39}, number = {4}, pages = {671--678}, year = {1999}, url = {https://doi.org/10.1021/ci9801567}, doi = {10.1021/CI9801567}, timestamp = {Tue, 21 Mar 2023 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/SatohIFTN99.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/SatohSNCGF98, author = {Hiroko Satoh and Oliver Sacher and Tadashi Nakata and Lingran Chen and Johann Gasteiger and Kimito Funatsu}, title = {Classification of Organic Reactions: Similarity of Reactions Based on Changes in the Electronic Features of Oxygen Atoms at the Reaction Sites1}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {38}, number = {2}, pages = {210--219}, year = {1998}, url = {https://doi.org/10.1021/ci9701190}, doi = {10.1021/CI9701190}, timestamp = {Tue, 21 Mar 2023 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/SatohSNCGF98.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/KimuraHF98, author = {Toshiro Kimura and Kiyoshi Hasegawa and Kimito Funatsu}, title = {{GA} Strategy for Variable Selection in {QSAR} Studies: GA-Based Region Selection for CoMFA Modeling}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {38}, number = {2}, pages = {276--282}, year = {1998}, url = {https://doi.org/10.1021/ci970237n}, doi = {10.1021/CI970237N}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/KimuraHF98.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/HasegawaMF97, author = {Kiyoshi Hasegawa and Yoshikatsu Miyashita and Kimito Funatsu}, title = {{GA} Strategy for Variable Selection in {QSAR} Studies: GA-Based {PLS} Analysis of Calcium Channel Antagonists}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {37}, number = {2}, pages = {306--310}, year = {1997}, url = {https://doi.org/10.1021/ci960047x}, doi = {10.1021/CI960047X}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/HasegawaMF97.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/YoshidaF97, author = {Hiroshi Yoshida and Kimito Funatsu}, title = {Optimization of the Inner Relation Function of {QPLS} Using Genetic Algorithm}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {37}, number = {6}, pages = {1115--1121}, year = {1997}, url = {https://doi.org/10.1021/ci970026i}, doi = {10.1021/CI970026I}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/YoshidaF97.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/SatohF96, author = {Hiroko Satoh and Kimito Funatsu}, title = {Further Development of a Reaction Generator in the {SOPHIA} System for Organic Reaction Prediction. Knowledge-Guided Addition of Suitable Atoms and/or Atomic Groups to Product Skeleton}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {36}, number = {2}, pages = {173--184}, year = {1996}, url = {https://doi.org/10.1021/ci950058a}, doi = {10.1021/CI950058A}, timestamp = {Tue, 21 Mar 2023 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/SatohF96.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/KimuraMFS96, author = {Toshiro Kimura and Yoshikatsu Miyashita and Kimito Funatsu and Shin{-}ichi Sasaki}, title = {Quantitative Structure-Activity Relationships of the Synthetic Substrates for Elastase Enzyme Using Nonlinear Partial Least Squares Regression}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {36}, number = {2}, pages = {185--189}, year = {1996}, url = {https://doi.org/10.1021/ci9501103}, doi = {10.1021/CI9501103}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/KimuraMFS96.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/FunatsuS96, author = {Kimito Funatsu and Shin{-}ichi Sasaki}, title = {Recent Advances in the Automated Structure Elucidation System, {CHEMICS.} Utilization of Two-Dimensional {NMR} Spectral Information and Development of Peripheral Functions for Examination of Candidates}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {36}, number = {2}, pages = {190--204}, year = {1996}, url = {https://doi.org/10.1021/ci950152r}, doi = {10.1021/CI950152R}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/FunatsuS96.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/HasegawaKMF96, author = {Kiyoshi Hasegawa and Toshiro Kimura and Yoshikatsu Miyashita and Kimito Funatsu}, title = {Nonlinear Partial Least Squares Modeling of Phenyl Alkylamines with the Monoamine Oxidase Inhibitory Activities}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {36}, number = {5}, pages = {1025--1029}, year = {1996}, url = {https://doi.org/10.1021/ci960362j}, doi = {10.1021/CI960362J}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/HasegawaKMF96.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/SatohF95, author = {Hiroko Satoh and Kimito Funatsu}, title = {SOPHIA, a Knowledge Base-Guided Reaction Prediction System - Utilization of a Knowledge Base Derived from a Reaction Database}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {35}, number = {1}, pages = {34--44}, year = {1995}, url = {https://doi.org/10.1021/ci00023a005}, doi = {10.1021/CI00023A005}, timestamp = {Tue, 21 Mar 2023 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcisd/SatohF95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/FunatsuAS94, author = {Kimito Funatsu and Binod P. Acharya and Shin{-}ichi Sasaki}, title = {Application of a digital 1H-NMR spectrum to the survival test of substructures and the assignment test}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {34}, number = {4}, pages = {735--744}, year = {1994}, url = {https://doi.org/10.1021/ci00020a007}, doi = {10.1021/CI00020A007}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/FunatsuAS94.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/FunatsuNS94, author = {Kimito Funatsu and Minoru Nishizaki and Shin{-}ichi Sasaki}, title = {Introduction of {NOE} data to an automated structure elucidation system, {CHEMICS.} Three-dimensional structure elucidation using the distance geometry method}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {34}, number = {4}, pages = {745--751}, year = {1994}, url = {https://doi.org/10.1021/ci00020a008}, doi = {10.1021/CI00020A008}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/FunatsuNS94.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/FunatsuSS89, author = {Kimito Funatsu and Yutaka Susuta and Shin{-}ichi Sasaki}, title = {Introduction of two-dimensional {NMR} spectral information to an automated structure elucidation system, {CHEMICS.} Utilization of 2D-INADEQUATE information}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {29}, number = {1}, pages = {6--11}, year = {1989}, url = {https://doi.org/10.1021/ci00061a003}, doi = {10.1021/CI00061A003}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/FunatsuSS89.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcisd/FunatsuMS88, author = {Kimito Funatsu and Nobuyoshi Miyabayashi and Shin{-}ichi Sasaki}, title = {Further development of structure generation in the automated structure elucidation system {CHEMICS}}, journal = {J. Chem. Inf. Comput. Sci.}, volume = {28}, number = {1}, pages = {18--28}, year = {1988}, url = {https://doi.org/10.1021/ci00057a003}, doi = {10.1021/CI00057A003}, timestamp = {Thu, 14 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/FunatsuMS88.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
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