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Thierry Kogej

molecular ai, discovery sciences, biopharmaceuticals r&d, astrazeneca, pepparedalsleden 1, 431 50 mölndal, sweden

27H指数
121论文数
6.2K被引数
收录论文 30
发表时间
Predicting Reaction Conditions: A Data-Driven Perspective预测反应条件:数据驱动的视角
err2025-08-07
err0
errOAAI
errMatt Ball; Dragos Horvath; Thierry Kogej; Mikhail Kabeshov; Alexandre Varnek
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Network Analysis of the Organic Chemistry in Patents, Literature, and Pharmaceutical Industry专利、文献和制药行业中有机化学的网络分析
err2025-07-18
err0
errOAAI
errEmma Svensson; Emma Granqvist; Tomas Bastys; Christos Kannas; Mikhail Kabeshov; Samuel Genheden; Ola Engkvist; Thierry Kogej
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Expanding the chemical space using a chemical reaction knowledge graph利用化学反应知识图谱拓展化学空间
err2024-01-01
err1
errOAAI
errRydholm, Emma; Bastys, Tomas; Svensson, Emma; Kannas, Christos; Engkvist, Ola; Kogej, Thierry
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Collaborative Virtual Screening Identifies a 2-Aryl-4-aminoquinazoline Series with Efficacy in an In Vivo Model of Trypanosoma cruzi Infection
err2023-01-06
err6
errOAAI
errTawaraishi, Taisuke; Ochida, Atsuko; Akao, Yuichiro; Itono, Sachiko; Kamaura, Masahiro; Akther, Thamina; Shimada, Mitsuyuki; Canan, Stacie; Chowdhury, Sanjoy; Cao, Yafeng; Condroski, Kevin; Engkvist, Ola; Francisco, Amanda; Ghosh, Sunil; Kaki, Rina; Kelly, John M.; Kimura, Chiaki; Kogej, Thierry; Nagaoka, Kazuya; Naito, Akira; Pairaudeau, Garry; Radu, Constantin; Roberts, Ieuan; Shum, David; Watanabe, Nao-aki; Xie, Huanxu; Yonezawa, Shuji; Yoshida, Osamu; Yoshida, Ryu; Mowbray, Charles; Perry, Benjamin
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On the use of real-world datasets for reaction yield prediction关于使用真实世界的数据集进行反应产率预测
err2023-01-01
err41
errOAAI
errSaebi, Mandana; Nan, Bozhao; Herr, John E. E.; Wahlers, Jessica; Guo, Zhichun; Zuranski, Andrzej M. M.; Kogej, Thierry; Norrby, Per-Ola; Doyle, Abigail G. G.; Chawla, Nitesh V. V.; Wiest, Olaf
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Automated stopped-flow library synthesis for rapid optimisation and machine learning directed experimentation自动停止流库合成,用于快速优化和机器学习指导实验
err2022-01-01
err15
errOAAI
errAvila, Claudio; Cassani, Carlo; Kogej, Thierry; Mazuela, Javier; Sarda, Sunil; Clayton, Adam D.; Kossenjans, Michael; Green, Clive P.; Bourne, Richard A.
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LibINVENT: Reaction-based Generative Scaffold Decoration for in Silico Library DesignLibINVENT: 基于反应的生成式支架装饰,用于计算机库设计
err2021-08-30
err45
errOAAI
errFialkova, Vendy; Zhao, Jiaxi; Papadopoulos, Kostas; Engkvist, Ola; Bjerrum, Esben Jannik; Kogej, Thierry; Patronov, Atanas
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Collaborative virtual screening to elaborate an imidazo[1,2-a]pyridine hit series for visceral leishmaniasis
err2021-01-01
err18
errOAAI
errAkao, Yuichiro; Canan, Stacie; Cao, Yafeng; Condroski, Kevin; Engkvist, Ola; Itono, Sachiko; Kaki, Rina; Kimura, Chiaki; Kogej, Thierry; Nagaoka, Kazuya; Naito, Akira; Nakai, Hiromi; Pairaudeau, Garry; Radu, Constantin; Roberts, Ieuan; Shimada, Mitsuyuki; Shum, David; Watanabe, Nao-aki; Xie, Huanxu; Yonezawa, Shuji; Yoshida, Osamu; Yoshida, Ryu; Mowbray, Charles; Perry, Benjamin
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Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical domain
err2020-01-01
err90
errOAAI
errThakkar, Amol; Kogej, Thierry; Reymond, Jean-Louis; Engkvist, Ola; Bjerrum, Esben Jannik
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Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors
err2019-02-06
err8
PREAI
errBuendia, Ruben; Kogej, Thierry; Engkvist, Ola; Carlsson, Lars; Linusson, Henrik; Johansson, Ulf; Toccaceli, Paolo; Ahlberg, Ernst
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Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition
err2017-03-17
err19
PREAI
errVerras, Andreas; Waller, Chris L.; Gedeck, Peter; Green, Darren V. S.; Kogej, Thierry; Raichurkar, Anandkumar; Panda, Manoranjan; Shelat, Anang A.; Clark, Julie; Guy, R. Kiplin; Papadatos, George; Burrows, Jeremy
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Secondary metabolites from cetrarioid lichens: Chemotaxonomy, biological activities and pharmaceutical potential
err2016-05-01
err62
PREAI
errXu, Maonian; Heidmarsson, Starri; Olafsdottir, Elin Soffia; Buonfiglio, Rosa; Kogej, Thierry; Omarsdottir, Sesselja
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Investigating Pharmacological Similarity by Charting Chemical Space
err2015-11-02
err16
PREAI
errBuonfiglio, Rosa; Engkvist, Ola; Varkonyi, Peter; Henz, Astrid; Vikeved, Elisabet; Backlund, Anders; Kogej, Thierry
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Exploring In Silico Prediction of the Unbound Brain-to-Plasma Drug Concentration Ratio: Model Validation, Renewal, and Interpretation
err2015-03-01
err36
PREAI
errVaradharajan, Srinidhi; Winiwarter, Susanne; Carlsson, Lars; Engkvist, Ola; Anantha, Ajay; Kogej, Thierry; Friden, Markus; Stalring, Jonna; Chen, Hongming
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Designing novel building blocks is an overlooked strategy to improve compound quality
err2015-01-01
err172
PREAI
errGoldberg, Frederick W.; Kettle, Jason G.; Kogej, Thierry; Perry, Matthew W. D.; Tomkinson, Nick P.
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Big pharma screening collections: more of the same or unique libraries? The AstraZeneca-Bayer Pharma AG case
err2013-10-01
err51
PREAI
errKogej, Thierry; Blomberg, Niklas; Greasley, Peter J.; Mundt, Stefan; Vainio, Mikko J.; Schamberger, Jens; Schmidt, Georg; Huelser, Joerg
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Scaffold Hopping by Fragment Replacement
err2013-07-11
err28
PREAI
errVainio, Mikko J.; Kogej, Thierry; Raubacher, Florian; Sadowski, Jens
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