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J

Jan H. Jensen

university of copenhagen

56H指数
330论文数
4.2W被引数
收录论文 65
发表时间
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Practical Computational Exploration of Chemical Reaction Space: Assessing the Chemical Stability of Active Pharmaceutical Ingredients Under Acidic Conditions实用计算探索化学反应空间：评估活性药物成分在酸性条件下的化学稳定性
errAngewandte Chemie-International Edition
IF16.9
err2026-09-14
err0
errOAAI
errJulius Seumer; Maria Harris Rasmussen; Oriana Brea; Mikko Muuronen; Andreas H. Göller; Jan H. Jensen
err分享
err收藏
Computational prediction of C-H hydricities and their use in predicting the regioselectivity of electron-rich C-H functionalisation reactionsC-H亲氢性的计算预测及其在富电子C-H官能化反应区域选择性的预测中的应用
errBeilstein Journal of Organic Chemistry
IF2.1
err2026-04-17
err0
errOAAI
errBorup, Rasmus M.; Ree, Nicolai; Jensen, Jan H.
err分享
err收藏
CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2缓存挑战 #3: 以SARS-CoV-2的Nsp3宏域为目标
errJournal of Chemical Information and Modeling
IF5.3
err2026-01-21
err0
errOAAI
errOleksandra Herasymenko; Madhushika Silva; Galen J. Correy; Abd Al-Aziz A. Abu-Saleh; Suzanne Ackloo; Cheryl Arrowsmith; Alan Ashworth; Fuqiang Ban; Hartmut Beck; Kevin P. Bishop; Hugo J. Bohórquez; Albina Bolotokova; Marko Breznik; Irene Chau; Yu Chen; Artem Cherkasov; Wim Dehaen; Dennis Della Corte; Katrin Denzinger; Niklas P. Doering; Kristina Edfeldt; Aled Edwards; Darren Fayne; Francesco Gentile; Elisa Gibson; Ozan Gokdemir; Anders Gunnarsson; Judith Günther; John J. Irwin; Jan Halborg Jensen; Rachel J. Harding; Alexander Hillisch; Laurent Hoffer; Anders Hogner; Ashley Hutchinson; Shubhangi Kandwal; Andrea Karlova; Kushal Koirala; Sergei Kotelnikov; Dima Kozakov; Juyong Lee; Soowon Lee; Uta Lessel; Sijie Liu; Xuefeng Liu; Peter Loppnau; Jens Meiler; Rocco Moretti; Yurii S. Moroz; Charuvaka Muvva; Tudor I. Oprea; Brooks Paige; Amit Pandit; Keunwan Park; Gennady Poda; Mykola V. Protopopov; Vera Pütter; Rahul Ravichandran; Didier Rognan; Edina Rosta; Yogesh Sabnis; Thomas Scott; Almagul Seitova; Purshotam Sharma; François Sindt; Minghu Song; Casper Steinmann; Rick Stevens; Valerij Talagayev; Valentyna V. Tararina; Olga Tarkhanova; Damon Tingey; John F. Trant; Dakota Treleaven; Alexander Tropsha; Patrick Walters; Jude Wells; Yvonne Westermaier; Gerhard Wolber; Lars Wortmann; Shuangjia Zheng; James S. Fraser; Matthieu Schapira
err分享
err收藏
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13CACHE挑战赛#2：靶向SARS-CoV-2解旋酶Nsp13的RNA位点
errJournal of Chemical Information and Modeling
IF5.3
err2025-06-20
err0
PREAI
errOleksandra Herasymenko; Madhushika Silva; Abd Al-Aziz A. Abu-Saleh; Ayaz Ahmad; Jesus Alvarado-Huayhuaz; Oscar E. A. Arce; Roly J. Armstrong; Cheryl Arrowsmith; Kelly E. Bachta; Hartmut Beck; Denes Berta; Mateusz K. Bieniek; Vincent Blay; Albina Bolotokova; Philip E. Bourne; Marko Breznik; Peter J. Brown; Aaron D. G. Campbell; Emanuele Carosati; Irene Chau; Daniel J. Cole; Ben Cree; Wim Dehaen; Katrin Denzinger; Karina dos Santos Machado; Ian Dunn; Prasannavenkatesh Durai; Kristina Edfeldt; Aled Edwards; Darren Fayne; Daniel Felfoldi; Kallie Friston; Pegah Ghiabi; Elisa Gibson; Judith Günther; Anders Gunnarsson; Alexander Hillisch; Douglas R. Houston; Jan Halborg Jensen; Rachel J. Harding; Kate S. Harris; Laurent Hoffer; Anders Hogner; Joshua T. Horton; Scott Houliston; Judd F. Hultquist; Ashley Hutchinson; John J. Irwin; Marko Jukič; Shubhangi Kandwal; Andrea Karlova; Vittorio L. Katis; Ryan P. Kich; Dmitri Kireev; David Koes; Nicole L. Inniss; Uta Lessel; Sijie Liu; Peter Loppnau; Wei Lu; Sam Martino; Miles McGibbon; Jens Meiler; Akhila Mettu; Sam Money-Kyrle; Rocco Moretti; Yurii S. Moroz; Charuvaka Muvva; Joseph A. Newman; Leon Obendorf; Brooks Paige; Amit Pandit; Keunwan Park; Sumera Perveen; Rachael Pirie; Gennady Poda; Mykola Protopopov; Vera Pütter; Federico Ricci; Natalie J. Roper; Edina Rosta; Margarita Rzhetskaya; Yogesh Sabnis; Karla J. F. Satchell; Frederico Schmitt Kremer; Thomas Scott; Almagul Seitova; Casper Steinmann; Valerij Talagayev; Olga O. Tarkhanova; Natalie J. Tatum; Dakota Treleaven; Adriano Velasque Werhli; W. Patrick Walters; Xiaowen Wang; Jude Wells; Geoffrey Wells; Yvonne Westermaier; Gerhard Wolber; Lars Wortmann; Jixian Zhang; Zheng Zhao; Shuangjia Zheng; Matthieu Schapira
err分享
err收藏
SMILES all around: structure to SMILES conversion for transition metal complexesSMILES 遍布四周：过渡金属配合物的结构到 SMILES 的转换
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2025-04-28
err0
errOAAI
errRasmussen, Maria H.; Strandgaard, Magnus; Seumer, Julius; Hemmingsen, Laura K.; Frei, Angelo; Balcells, David; Jensen, Jan H.
err分享
err收藏
CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-11-05
err4
errOAAI
errLi, Fengling; Ackloo, Suzanne; Arrowsmith, Cheryl H.; Ban, Fuqiang; Barden, Christopher J.; Beck, Hartmut; Beranek, Jan; Berenger, Francois; Bolotokova, Albina; Bret, Guillaume; Breznik, Marko; Carosati, Emanuele; Chau, Irene; Chen, Yu; Cherkasov, Artem; Della Corte, Dennis; Denzinger, Katrin; Dong, Aiping; Draga, Sorin; Dunn, Ian; Edfeldt, Kristina; Edwards, Aled; Eguida, Merveille; Eisenhuth, Paul; Friedrich, Lukas; Fuerll, Alexander; Gardiner, Spencer S.; Gentile, Francesco; Ghiabi, Pegah; Gibson, Elisa; Glavatskikh, Marta; Gorgulla, Christoph; Guenther, Judith; Gunnarsson, Anders; Gusev, Filipp; Gutkin, Evgeny; Halabelian, Levon; Harding, Rachel J.; Hillisch, Alexander; Hoffer, Laurent; Hogner, Anders; Houliston, Scott; Irwin, John J.; Isayev, Olexandr; Ivanova, Aleksandra; Jacquemard, Celien; Jarrett, Austin J.; Jensen, Jan H.; Kireev, Dmitri; Kleber, Julian; Koby, S. Benjamin; Koes, David; Kumar, Ashutosh; Kurnikova, Maria G.; Kutlushina, Alina; Lessel, Uta; Liessmann, Fabian; Liu, Sijie; Lu, Wei; Meiler, Jens; Mettu, Akhila; Minibaeva, Guzel; Moretti, Rocco; Morris, Connor J.; Narangoda, Chamali; Noonan, Theresa; Obendorf, Leon; Pach, Szymon; Pandit, Amit; Perveen, Sumera; Poda, Gennady; Polishchuk, Pavel; Puls, Kristina; Puetter, Vera; Rognan, Didier; Roskams-Edris, Dylan; Schindler, Christina; Sindt, Francois; Spiwok, Vojtech; Steinmann, Casper; Stevens, Rick L.; Talagayev, Valerij; Tingey, Damon; Vu, Oanh; Walters, W. Patrick; Wang, Xiaowen; Wang, Zhenyu; Wolber, Gerhard; Wolf, Clemens Alexander; Wortmann, Lars; Zeng, Hong; Zepeda, Carlos A.; Zhang, Kam Y. J.; Zhang, Jixian; Zheng, Shuangjia; Schapira, Matthieu
err分享
err收藏
Automated quantum chemistry for estimating nucleophilicity and electrophilicity with applications to retrosynthesis and covalent inhibitors
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err9
errOAAI
errRee, Nicolai; Goeller, Andreas H.; Jensen, Jan H.
err分享
err收藏
Discovery of molybdenum based nitrogen fixation catalysts with genetic algorithms
errChemical Science
IF7.4
err2024-01-01
err0
errOAAI
errStrandgaard, Magnus; Seumer, Julius; Jensen, Jan H.
err分享
err收藏
Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data sets
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2023-12-18
err14
errOAAI
errRasmussen, Maria H.; Duan, Chenru; Kulik, Heather J.; Jensen, Jan H.
err分享
err收藏
Toward De Novo Catalyst Discovery: Fast Identification of New Catalyst Candidates for Alcohol-Mediated Morita-Baylis-Hillman Reactions
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2023-10-31
err2
errOAAI
errRasmussen, Maria H.; Seumer, Julius; Jensen, Jan H.
err分享
err收藏
Computational Evolution Of New Catalysts For The Morita-Baylis-Hillman Reaction
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2023-03-22
err13
errOAAI
errSeumer, Julius; Kirschner Solberg Hansen, Jonathan; Brondsted Nielsen, Mogens; Jensen, Jan H.
err分享
err收藏
What the Heck??Automated Regioselectivity Calculations of Palladium-Catalyzed Heck Reactions Using Quantum Chemistry
errACS OMEGA
IF4.3
err2022-12-02
err6
errOAAI
errRee, Nicolai; Goeller, Andreas H.; Jensen, Jan H.
err分享
err收藏
Substituent Control of σ-Interference Effects in the Transmission of Saturated Molecules
errACS PHYSICAL CHEMISTRY AU
IF4.3
err2022-04-14
err6
errOAAI
errGarner, Marc H.; Koerstz, Mads; Jensen, Jan H.; Solomon, Gemma C.
err分享
err收藏
A Neural Network Approach for Property Determination of Molecular Solar Cell Candidates
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2022-03-04
err3
PREAI
errChristensen, Oliver; Schlosser, Rasmus Dalsgaard; Nielsen, Rasmus Buus; Johansen, Jes; Koerstz, Mads; Jensen, Jan H.; Mikkelsen, Kurt, V
err分享
err收藏
RegioML: predicting the regioselectivity of electrophilic aromatic substitution reactions using machine learning
errDIGITAL DISCOVERY
IF5.6
err2022-01-01
err13
errOAAI
errRee, Nicolai; Goeller, Andreas H.; Jensen, Jan H.
err分享
err收藏
Virtual screening of norbornadiene-based molecular solar thermal energy storage systems using a genetic algorithm
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-11-08
err8
PREAI
errRee, Nicolai; Koerstz, Mads; Mikkelsen, Kurt V.; Jensen, Jan H.
err分享
err收藏
RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutions
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2021-02-12
err13
errOAAI
errRee, Nicolai; Goeller, Andreas H.; Jensen, Jan H.
err分享
err收藏
A graph-based genetic algorithm and generative model/Monte Carlo tree search for the exploration of chemical space基于图的遗传算法和生成模型/蒙特卡洛树搜索的化学空间探索
errCHEMICAL SCIENCE
IF7.4
err2019-01-01
err186
errOAAI
errJensen, Jan H.
err分享
err收藏
Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-09-11
err50
errOAAI
errKromann, Jimmy C.; Steinmann, Casper; Jensen, Jan H.
err分享
err收藏
Random versus Systematic Errors in Reaction Enthalpies Computed Using Semiempirical and Minimal Basis Set Methods
errACS OMEGA
IF4.3
err2018-04-20
err11
errOAAI
errKromann, Jimmy C.; Welford, Alexander; Christensen, Anders S.; Jensen, Jan H.
err分享
err收藏

研究方向

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合作学者
合作期刊
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M
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H 指数: 90 · 论文数: 734
T
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H 指数: 85 · 论文数: 510
A
Alexander Tropsha
H 指数: 82 · 论文数: 580
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