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| ファイル | 記述 | サイズ | フォーマット | |
|---|---|---|---|---|
| djohk00849.pdf | Dissertation_全文 | 1.97 MB | Adobe PDF | 見る/開く |
| yjohk00849.pdf | Abstract_要旨 | 224.18 kB | Adobe PDF | 見る/開く |
| タイトル: | Novel Methods for Chemical Compound Inference Based on Machine Learning and Mixed Integer Linear Programming |
| その他のタイトル: | 機械学習と混合整数線形計画法に基づく新しい化合物推定手法 |
| 著者: | Zhu, Jianshen |
| 著者名の別形: | 朱, 見深 |
| キーワード: | Inverse QSAR Machine Learning Mixed Integer Linear Programming Chemical Graphs |
| 発行日: | 25-Sep-2023 |
| 出版者: | Kyoto University |
| 学位授与大学: | 京都大学 |
| 学位の種類: | 新制・課程博士 |
| 取得分野: | 博士(情報学) |
| 報告番号: | 甲第24938号 |
| 学位記番号: | 情博第849号 |
| 学位授与年月日: | 2023-09-25 |
| 請求記号: | 新制||情||142(附属図書館) |
| 研究科・専攻: | 京都大学大学院情報学研究科数理工学専攻 |
| 論文調査委員: | (主査)准教授 原口 和也, 教授 山下 信雄, 教授 阿久津 達也 |
| 学位授与の要件: | 学位規則第4条第1項該当 |
| 著作権等: | Chapter 5 is adapted from [Zhu et al., A novel method for inferring chemical compounds with prescribed topological substructures based on integer programming. IEEE/ACM Transactions on Computational Biology and Bioinformatics, 19(6):3233–3245, 2021], https://doi.org/10.1109/TCBB.2021.3112598, Copyright ©︎IEEE 2021. In reference to IEEE copyrighted material which is used with permission in this thesis, the IEEE does not endorse any of Kyoto University's products or services. Internal or personal use of this material is permitted. If interested in reprinting/republishing IEEE copyrighted material for advertising or promotional purposes or for creating new collective works for resale or redistribution, please go to http://www.ieee.org/publications_standards/publications/rights/rights_link.html to learn how to obtain a License from RightsLink. If applicable, University Microfilms and/or ProQuest Library, or the Archives of Canada may supply single copies of the dissertation. Chapter 7 is adapted from [Zhu et al., Adjustive linear regression and its application to the inverse QSAR. In Proceedings of the 15th International Joint Conference on Biomedical Engineering Systems and Technologies - BIOINFORMATICS, pages 144–151. INSTICC, SciTePress, 2022], https://doi.org/10.5220/0010853700003123, with permission from the publisher. Copyright ©︎SCITEPRESS 2022. Chapters 4, 6, and 8 are adapted from https://doi.org/10.3390/a13050124, https://doi.org/10.31083/j.fbl2706188, and https://doi.org/10.48550/arXiv.2209.13527, respectively, and have been reproduced with the permission of the publisher under CC-BY license. |
| DOI: | 10.14989/doctor.k24938 |
| URI: | http://hdl.handle.net/2433/285872 |
| 出現コレクション: | 140 博士(情報学) |
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