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J

Jörg K. Wegner

johnson & johnson

31H指数
114论文数
4.1K被引数
收录论文 26
发表时间
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Robust out-of-distribution prediction of Buchwald–Hartwig reactionsBuchwald–Hartwig反应的鲁棒性分布外预测
errNature Computational Science
IF18.3
err2026-08-10
err0
errOAAI
errPaulo Neves; Bo Hao; Santeri Aikonen; Justin B. Diccianni; Jörg K. Wegner; Philippe Schwaller; Iulia I. Strambeanu
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MolAgent: Biomolecular Property Estimation in the Agentic EraMolAgent：智能体时代下的生物分子属性估算
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-10-01
err0
PREAI
errGomez-Tamayo, Jose Carlos; Tavernier, Joris; Aerts, Roy; Dyubankova, Natalia; Van Rompaey, Dries; Menon, Sairam; Steijaert, Marvin; Wegner, Jorg Kurt; Ceulemans, Hugo; Tresadern, Gary; De Winter, Hans; Ahmad, Mazen
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Improving route development using convergent retrosynthesis planning通过收敛式逆向合成规划改进路线开发
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2025-02-27
err0
errOAAI
errTorren-Peraire, Paula; Verhoeven, Jonas; Herman, Dorota; Ceulemans, Hugo; Tetko, Igor V.; Wegner, Joerg K.
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Toward Dose Prediction at Point of Design
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2024-12-12
err0
PREAI
errVan Rompaey, Dries; Chaudhuri, Siladitya Ray; Ahmad, Mazen; Cisar, Justin; van den Bergh, An; Ash, Jeremy; Wu, Zhe; Bryan, Marian C.; Edwards, James P.; Desjarlais, Renee; Wegner, Jorg Kurt; Ceulemans, Hugo; Mitra, Kaushik; Polidori, David
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Global reactivity models are impactful in industrial synthesis applications (vol 15, 20, 2023)
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2023-03-02
err0
errOAAI
errNeves, Paulo; McClure, Kelly; Verhoeven, Jonas; Dyubankova, Natalia; Nugmanov, Ramil; Gedich, Andrey; Menon, Sairam; Shi, Zhicai; Wegner, Jorg K.
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Global reactivity models are impactful in industrial synthesis applications
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2023-02-11
err8
errOAAI
errNeves, Paulo; McClure, Kelly; Verhoeven, Jonas; Dyubankova, Natalia; Nugmanov, Ramil; Gedich, Andrey; Menon, Sairam; Shi, Zhicai; Wegner, Jorg K.
err分享
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Bidirectional Graphormer for Reactivity Understanding: Neural Network Trained to Reaction Atom-to-Atom Mapping Task
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-07-06
err15
PREAI
errNugmanov, Ramil; Dyubankova, Natalia; Gedich, Andrey; Wegner, Joerg Kurt
err分享
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Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-01-15
err42
errOAAI
errSeidl, Philipp; Renz, Philipp; Dyubankova, Natalia; Neves, Paulo; Verhoeven, Jonas; Wegner, Jorg K.; Segler, Marwin; Hochreiter, Sepp; Klambauer, Gunter
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A geometric deep learning approach to predict binding conformations of bioactive molecules
errNATURE MACHINE INTELLIGENCE
IF23.9
err2021-12-02
err77
PREAI
errMendez-Lucio, Oscar; Ahmad, Mazen; del Rio-Chanona, Ehecatl Antonio; Wegner, Jorg Kurt
err分享
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Tales of 1,008 small molecules: phenomic profiling through live-cell imaging in a panel of reporter cell lines
errSCIENTIFIC REPORTS
IF3.9
err2020-08-06
err35
errOAAI
errCox, Michael J.; Jaensch, Steffen; Vande Waeter, Jelle; Cougnaud, Laure; Seynaeve, Daan; Benalla, Soulaiman; Koo, Seong Joo; VanDen Wyngaert, Ilse; Neefs, Jean-Marc; Malkov, Dmitry; Bittremieux, Mart; Steemans, Margino; Peeters, Pieter J.; Wegner, Jorg Kurt; Ceulemans, Hugo; Gustin, Emmanuel; Chong, Yolanda T.; Goehlmann, Hinrich W. H.
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Fast semi-supervised discriminant analysis for binary classification of large data sets
errPATTERN RECOGNITION
IF7.6
err2019-07-01
err10
errOAAI
errTavernier, Joris; Simm, Jaak; Meerbergen, Karl; Wegner, Joerg Kurt; Ceuleman, Hugo; Moreau, Yves
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A genetics-led approach defines the drug target landscape of 30 immune-related traits
errNATURE GENETICS
IF31.8
err2019-06-28
err137
errOAAI
errFang, Hai; Beckmann, Georg; Bountra, Chas; Bowness, Paul; Burgess-Brown, Nicola; Carpenter, Liz; Chen, Liye; Damerell, David; Egner, Ursula; Fujii, Ryo; Howe, Trevor; Jakobsson, Per-Johan; Katopodis, Andreas; Knight, Julian C.; Marsden, Brian D.; De Martino, Julie; Matthias, Gstaiger; McVean, Gilean; Mueller-Fahrnow, Anke; Malarstig, Anders; O'Callaghan, Chris A.; Ostermann, Nils; Paez-cortez, Jesus R.; Peeters, Pieter J.; Prinz, Florian; Soulard, Patricia; Sundstrom, Michael; Yabuki, Chiori; Vlach, Jaromir; De Wolf, Hans; Knezevic, Bogdan; Burnham, Katie L.; Osgood, Julie; Sanniti, Anna; Lara, Alicia Lledo; Kasela, Silva; De Cesco, Stephane; Wegner, Jorg K.; Handunnetthi, Lahiru; McCann, Fiona E.; Sekine, Takuya; Brennan, Paul E.; Sundstrom, Yvonne; Milani, Lili; Berg, Louise; Gohlmann, Hinrich W.; Fairfax, Benjamin P.
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Repurposing High-Throughput Image Assays Enables Biological Activity Prediction for Drug Discovery
errCELL CHEMICAL BIOLOGY
IF7.2
err2018-05-01
err148
errOAAI
errSimm, Jaak; Klambauer, Guenter; Arany, Adam; Steijaert, Marvin; Wegner, Jorg Kurt; Gustin, Emmanuel; Chupakhin, Vladimir; Chong, Yolanda T.; Vialard, Jorge; Buijnsters, Peter; Velter, Ingrid; Vapirev, Alexander; Singh, Shantanu; Carpenter, Anne E.; Wuyts, Roel; Hochreiter, Sepp; Moreau, Yves; Ceulemans, Hugo
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Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
errCHEMICAL SCIENCE
IF7.4
err2018-01-01
err330
errOAAI
errMayr, Andreas; Klambauer, Guenter; Unterthiner, Thomas; Steijaert, Marvin; Wegner, Jorg K.; Ceulemans, Hugo; Clevert, Djork-Arne; Hochreiter, Sepp
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Erratum to: ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics (vol 9, pg 1, 2017)
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2017-06-14
err3
errOAAI
errSun, Jiangming; Jeliazkova, Nina; Chupakhin, Vladimir; Golib-Dzib, Jose-Felipe; Engkvist, Ola; Carlsson, Lars; Wegner, Jorg; Ceulemans, Hugo; Georgiev, Ivan; Jeliazkov, Vedrin; Kochev, Nikolay; Ashby, Thomas J.; Chen, Hongming
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ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2017-03-07
err136
errOAAI
errSun, Jiangming; Jeliazkova, Nina; Chupakin, Vladimir; Golib-Dzib, Jose-Felipe; Engkvist, Ola; Carlsson, Lars; Wegner, Jorg; Ceulemans, Hugo; Georgiev, Ivan; Jeliazkov, Vedrin; Kochev, Nikolay; Ashby, Thomas J.; Chen, Hongming
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Scaling machine learning for target prediction in drug discovery using Apache Spark使用Apache Spark扩展机器学习以进行药物发现中的靶标预测
errFUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF ESCIENCE
IF6.1
err2017-02-01
err36
PREAI
errHarnie, Dries; Saey, Mathijs; Vapirev, Alexander E.; Wegner, Jorg Kurt; Gedich, Andrey; Steijaert, Marvin; Ceulemans, Hugo; Wuyts, Roel; De Meuter, Wolfgang
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Disubstituted Bis-THF Moieties as New P2 Ligands in Nonpeptidal HIV-1 Protease Inhibitors (II)
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2015-04-30
err27
PREAI
errHohlfeld, Konrad; Wegner, Joerg Kurt; Kesteleyn, Bart; Linclau, Bruno; Unge, Johan
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Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2013-09-24
err57
errOAAI
errvan Westen, Gerard J. P.; Swier, Remco F.; Cortes-Ciriano, Isidro; Wegner, Joerg K.; Overington, John P.; IJzerman, Adriaan P.; van Vlijmen, Herman W. T.; Bender, Andreas
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Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2013-09-23
err82
errOAAI
errvan Westen, Gerard J. P.; Swier, Remco F.; Wegner, Jorg K.; IJzerman, Adriaan P.; van Vlijmen, Herman W. T.; Bender, Andreas
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Lili Milani 封面图
Lili Milani (Lili Milani)
H 指数: 111 · 论文数: 470
J
Julian C. Knight
H 指数: 91 · 论文数: 415
G
Gisbert Schneider
H 指数: 82 · 论文数: 634
A
Anne E. Carpenter
H 指数: 79 · 论文数: 372
A
Adriaan P. IJzerman
H 指数: 77 · 论文数: 638
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