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Noel M. O’Boyle

embl european bioinformatics institute

29H指数
94论文数
2.1W被引数
收录论文 34
发表时间
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ANNalog: generation of MedChem-similar moleculesANNalog: 生成类药物化学分子
errJournal of Cheminformatics
IF5.7
err2026-04-15
err0
errOAAI
errWei Dai; Jonathan D. Tyzack; Arianna Fornili; Chris de Graaf; Noel M. O’Boyle
err分享
err收藏
Correction: Integrating artificial intelligence and manual curation to enhance bioassay annotations in ChEMBL更正：整合人工智能和人工筛选以增强ChEMBL生物测定注释
errJournal of Cheminformatics
IF5.7
err2026-03-27
err0
errOAAI
errInes Smit; Melissa F. Adasme; Emma Manners; Sybilla Corbett; Nicolas Bosc; Hoang-My-Anh Do; Andrew R. Leach; Noel M. O’Boyle; Barbara Zdrazil
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Integrating artificial intelligence and manual curation to enhance bioassay annotations in ChEMBL集成人工智能和人工筛选以增强ChEMBL生物测定注释
errJournal of Cheminformatics
IF5.7
err2026-02-12
err0
errOAAI
errInes Smit; Melissa F. Adasme; Emma Manners; Sybilla Corbett; Nicolas Bosc; Hoang-My-Anh Do; Andrew R. Leach; Noel M. O’Boyle; Barbara Zdrazil
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ChEBI: re-engineered for a sustainable futureChEBI：为可持续未来而重新设计
errNUCLEIC ACIDS RESEARCH
IF13.1
err2025-11-01
err2
PREAI
errMalik, Adnan; Arsalan, Muhammad; Moreno, Carlos; Mosquera, Juan; Felix, Eloy; Kiziloren, Tevfik; Muthukrishnan, Venkatesh; Zdrazil, Barbara; Leach, Andrew R.; O'Boyle, Noel M.
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EMBL's European Bioinformatics Institute (EMBL-EBI) in 2025欧洲分子生物学实验室的欧洲生物信息学研究所（EMBL-EBI）在2025年
errNUCLEIC ACIDS RESEARCH
IF13.1
err2025-11-01
err2
PREAI
errThakur, Matthew; Bosc, Nicolas; Brooksbank, Cath; Ernst, Christina; Freeberg, Mallory A.; Gurwitz, Kim T.; Hermjakob, Henning; Hulcoop, David G.; Martin, Maria J.; McDonagh, Ellen M.; Mithani, Aziz; O'Boyle, Noel M.; Ochoa, David; Payne, Thomas; Perez-Riverol, Yasset; Sarkans, Ugis; Sokolov, Alexey; Staudt, Nicole; Stephenson, James D.; Tzampatzopoulou, Eleni; Vizcaino, Juan Antonio; Zdrazil, Barbara; McEntyre, Johanna
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Chemical classification program synthesis using generative artificial intelligence基于生成式人工智能的化学分类程序合成
errJournal of Cheminformatics
IF5.7
err2025-10-04
err0
errOAAI
errChristopher J. Mungall; Adnan Malik; Daniel R. Korn; Justin T. Reese; Noel M. O’Boyle; Janna Hastings
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Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-10-23
err1
errOAAI
errPeter, Sonja; Siragusa, Lydia; Thomas, Morgan; Palomba, Tommaso; Cross, Simon; O'Boyle, Noel M.; Bajusz, David; Ferenczy, Gyorgy G.; Keseru, Gyorgy M.; Bottegoni, Giovanni; Bender, Brian; Chen, Ijen; De Graaf, Chris
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MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug designMolScore: 从头药物设计中生成模型的评分，评估和基准框架
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2024-05-30
err3
errOAAI
errThomas, Morgan; O'Boyle, Noel M.; Bender, Andreas; De Graaf, Chris
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Artificial intelligence (AI) methodology in structural biology
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2023-10-01
err0
errOAAI
errBender, Andreas; de Graaf, Chris; O'Boyle, Noel
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Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation增强爬坡提高了基于语言的从头分子生成的强化学习效率
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2022-10-03
err16
errOAAI
errThomas, Morgan; O'Boyle, Noel M.; Bender, Andreas; de Graaf, Chris
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Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2021-05-13
err43
errOAAI
errThomas, Morgan; Smith, Robert T.; O'Boyle, Noel M.; de Graaf, Chris; Bender, Andreas
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Updates to the Symbol Nomenclature for Glycans guidelines对聚糖符号命名指南的更新
errGLYCOBIOLOGY
IF3.3
err2019-06-11
err359
errOAAI
errNeelamegham, Sriram; Aoki-Kinoshita, Kiyoko; Bolton, Evan; Frank, Martin; Lisacek, Frederique; Luetteke, Thomas; O'Boyle, Noel; Packer, Nicolle H.; Stanley, Pamela; Toukach, Philip; Varki, Ajit; Woods, Robert J.; Darvill, Alan; Dell, Anne; Henrissat, Bernard; Bertozzi, Carolyn; Hart, Gerald; Narimatsu, Hisashi; Freeze, Hudson; Yamada, Issaku; Paulson, James; Prestegard, James; Marth, Jamey; Vliegenthart, J. F. G.; Etzler, Marilynn; Aebi, Markus; Kanehisa, Minoru; Taniguchi, Naoyuki; Edwards, Nathan; Rudd, Pauline; Seeberger, Peter; Mazumder, Raja; Ranzinger, Rene; Cummings, Richard; Schnaar, Ronald; Perez, Serge; Kornfeld, Stuart; Kinoshita, Taroh; York, William; Knirel, Yuriy
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Comparing structural fingerprints using a literature-based similarity benchmark使用基于文献的相似性基准比较结构指纹
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2016-07-05
err177
errOAAI
errO'Boyle, Noel M.; Sayle, Roger A.
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Efficient chemical-disease identification and relationship extraction using Wikipedia to improve recall
errDATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION
IF3.6
err2016-04-08
err20
errOAAI
errLowe, Daniel M.; O'Boyle, Noel M.; Sayle, Roger A.
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Using Matched Molecular Series as a Predictive Tool To Optimize Biological Activity
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2014-03-14
err51
errOAAI
errO'Boyle, Noel M.; Bostrom, Jonas; Sayle, Roger A.; Gill, Adrian
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Cheminformatics
errCOMMUNICATIONS OF THE ACM
IF12.2
err2012-11-01
err21
PREAI
errWegner, Joerg Kurt; Sterling, Aaron; Guha, Rajarshi; Bender, Andreas; Faulon, Jean-Loup; Hastings, Janna; O'Boyle, Noel; Overington, John; Van Vlijmen, Herman; Willighagen, Egon
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Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChI迈向通用的微笑表示-一种基于InChI生成规范微笑的标准方法
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2012-09-18
err217
errOAAI
errO'Boyle, Noel M.
err分享
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Utilizing Sulfoxide•••lodine Halogen Bonding for Cocrystallization
errCRYSTAL GROWTH & DESIGN
IF3.4
err2012-05-17
err29
errOAAI
errEccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O'Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O'Boyle, Noel M.; Fabian, Laszlo; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
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Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2011-10-14
err58
errOAAI
errO'Boyle, Noel M.; Guha, Rajarshi; Willighagen, Egon L.; Adams, Samuel E.; Alvarsson, Jonathan; Bradley, Jean-Claude; Filippov, Igor V.; Hanson, Robert M.; Hanwell, Marcus D.; Hutchison, Geoffrey R.; James, Craig A.; Jeliazkova, Nina; Lang, Andrew S. I. D.; Langner, Karol M.; Lonie, David C.; Lowe, Daniel M.; Pansanel, Jerome; Pavlov, Dmitry; Spjuth, Ola; Steinbeck, Christoph; Tenderholt, Adam L.; Theisen, Kevin J.; Murray-Rust, Peter
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Open Babel: An open chemical toolbox开放的巴别塔: 一个开放的化学工具箱
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2011-10-07
err6.3K
errOAAI
errO'Boyle, Noel M.; Banck, Michael; James, Craig A.; Morley, Chris; Vandermeersch, Tim; Hutchison, Geoffrey R.
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研究方向

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