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J

Johann Gasteiger

University of Erlangen Nuremberg

60H指数
409论文数
2.3W被引数
收录论文 64
发表时间
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Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds化学信息学和人工智能学术讨论会: 开发生物活性化合物的进展和挑战
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2022-12-02
err18
errOAAI
errBajorath, Juergen; Chavez-Hernandez, Ana L. L.; Duran-Frigola, Miquel; Fernandez-de Gortari, Eli; Gasteiger, Johann; Lopez-Lopez, Edgar; Maggiora, Gerald M. M.; Medina-Franco, Jose L.; Mendez-Lucio, Oscar; Mestres, Jordi; Miranda-Quintana, Ramon Alain; Oprea, Tudor I. I.; Plisson, Fabien; Prieto-Martinez, Fernando D. D.; Rodriguez-Perez, Raquel; Rondon-Villarreal, Paola; Saldivar-Gonzalez, Fernanda I. I.; Sanchez-Cruz, Norberto; Valli, Marilia
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Performance of radial distribution function-based descriptors in the chemoinformatic studies of HIV-1 protease
errFUTURE MEDICINAL CHEMISTRY
IF3.4
err2020-01-27
err8
errOAAI
errNovak, Jurica; Grishina, Maria A.; Potemkin, Vladimir A.; Gasteiger, Johann
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Leaving us with fond memories, smiles, SMILES and, alas, tears: a tribute to David Weininger, 1952-2016给我们留下美好的回忆，微笑，微笑和，唉，眼泪: 向1952-2016岁的大卫·温林格致敬
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2018-02-03
err0
errOAAI
errGasteiger, Johann; Martin, Yvonne; Nicholls, Anthony; Oprea, Tudor I.; Stouch, Terry
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Molecular descriptor data explain market prices of a large commercial chemical compound library
errSCIENTIFIC REPORTS
IF3.9
err2016-06-23
err9
errOAAI
errPolanski, Jaroslaw; Kucia, Urszula; Duszkiewicz, Roksana; Kurczyk, Agata; Magdziarz, Tomasz; Gasteiger, Johann
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Chemoinformatics: Achievements and Challenges, a Personal View
errMOLECULES
IF4.6
err2016-01-27
err66
errOAAI
errGasteiger, Johann
err分享
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New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2015-02-19
err158
PREAI
errYang, Chihae; Tarkhov, Aleksey; Marusczyk, Joerg; Bienfait, Bruno; Gasteiger, Johann; Kleinoeder, Thomas; Magdziarz, Tomasz; Sacher, Oliver; Schwab, Christof H.; Schwoebel, Johannes; Terfloth, Lothar; Arvidson, Kirk; Richard, Ann; Worth, Andrew; Rothman, James
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ChemStable: a web server for rule-embedded na⟨ve Bayesian learning approach to predict compound stability
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2014-07-17
err16
PREAI
errLiu, Zhihong; Zheng, Minghao; Yan, Xin; Gu, Qiong; Gasteiger, Johann; Tijhuis, Johan; Maas, Peter; Li, Jiabo; Xu, Jun
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err收藏
QSAR Modeling: Where Have You Been? Where Are You Going To?QSAR建模: 你去过哪里？你要去哪里？
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2014-01-06
err1.4K
errOAAI
errCherkasov, Artem; Muratov, Eugene N.; Fourches, Denis; Varnek, Alexandre; Baskin, Igor I.; Cronin, Mark; Dearden, John; Gramatica, Paola; Martin, Yvonne C.; Todeschini, Roberto; Consonni, Viviana; Kuz'min, Victor E.; Cramer, Richard; Benigni, Romualdo; Yang, Chihae; Rathman, James; Terfloth, Lothar; Gasteiger, Johann; Richard, Ann; Tropsha, Alexander
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Shaping the future of safer innovative drugs in Europe
errNATURE BIOTECHNOLOGY
IF41.7
err2011-09-08
err3
PREAI
errMestres, Jordi; Bryant, Sharon D.; Zamora, Ismael; Gasteiger, Johann
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Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information在线化学建模环境 (OCHEM): 用于数据存储，模型开发和化学信息发布的web平台
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2011-06-10
err509
errOAAI
errSushko, Iurii; Novotarskyi, Sergii; Koerner, Robert; Pandey, Anil Kumar; Rupp, Matthias; Teetz, Wolfram; Brandmaier, Stefan; Abdelaziz, Ahmed; Prokopenko, Volodymyr V.; Tanchuk, Vsevolod Y.; Todeschini, Roberto; Varnek, Alexandre; Marcou, Gilles; Ertl, Peter; Potemkin, Vladimir; Grishina, Maria; Gasteiger, Johann; Schwab, Christof; Baskin, Igor I.; Palyulin, Vladimir A.; Radchenko, Eugene V.; Welsh, William J.; Kholodovych, Vladyslav; Chekmarev, Dmitriy; Cherkasov, Artem; Aires-de-Sousa, Joao; Zhang, Qing-You; Bender, Andreas; Nigsch, Florian; Patiny, Luc; Williams, Antony; Tkachenko, Valery; Tetko, Igor V.
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Similarity Perception of Reactions Catalyzed by Oxidoreductases and Hydrolases Using Different Classification Methods
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2010-06-01
err18
PREAI
errHu, Xiaoying; Yan, Aixia; Tan, Tianwei; Sacher, Oliver; Gasteiger, Johann
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IGERS: Inferring Gibbs Energy Changes of Biochemical Reactions from Reaction Similarities
errBIOPHYSICAL JOURNAL
IF3.1
err2010-06-01
err15
errOAAI
errRother, Kristian; Hoffman, Sabrina; Bulik, Sascha; Hoppe, Andreas; Gasteiger, Johann; Holzhuetter, Herrmann-Georg
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Exploring Potency and Selectivity Receptor Antagonist Profiles Using a Multilabel Classification Approach: The Human Adenosine Receptors as a Key Study
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2009-11-12
err20
PREAI
errMichielan, Lisa; Stephanie, Federico; Terfloth, Lothar; Hristozov, Dimitar; Cacciari, Barbara; Klotz, Karl-Norbert; Spalluto, Giampiero; Gasteiger, Johann; Moro, Stefano
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Comparison of Multilabel and Single-Label Classification Applied to the Prediction of the Isoform Specificity of Cytochrome P450 Substrates
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2009-11-02
err53
PREAI
errMichielan, Lisa; Terfloth, Lothar; Gasteiger, Johann; Moro, Stefano
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Second-generation de novo design: a view from a medicinal chemist perspective
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2009-06-27
err27
PREAI
errZaliani, Andrea; Boda, Krisztina; Seidel, Thomas; Herwig, Achim; Schwab, Christof H.; Gasteiger, Johann; Claussen, Holger; Lemmen, Christian; Degen, Joerg; Paern, Juri; Rarey, Matthias
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Investigations of Enzyme-Catalyzed Reactions Based on Physicochemical Descriptors Applied to Hydrolases
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2009-05-15
err21
PREAI
errSacher, Oliver; Reitz, Martin; Gasteiger, Johann
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Uncovering metabolic pathways relevant to phenotypic traits of microbial genomes
errGENOME BIOLOGY
IF9.4
err2009-03-10
err35
errOAAI
errKastenmueller, Gabi; Schenk, Maria Elisabeth; Gasteiger, Johann; Mewes, Hans-Werner
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Explorations into modeling human oral bioavailability
errEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
IF5.9
err2008-11-01
err15
PREAI
errWang, Zhi; Yan, Aixia; Yuan, Qipeng; Gasteiger, Johann
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Automatic determination of reaction mappings anal reaction center information.: 2.: Validation on a biochemical reaction database
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2008-06-06
err28
PREAI
errApostolakis, Joannis; Sacher, Oliver; Koerner, Robert; Gasteiger, Johann
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Simple method for the prediction of the separation of racemates with high-performance liquid chromatography on Whelk-O1 chiral stationary phase
errJOURNAL OF CHROMATOGRAPHY A
IF4
err2008-03-01
err17
PREAI
errDel Rio, Alberto; Gasteiger, Johann
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研究方向

暂无研究方向
合作学者
合作期刊
K
K. N. Houk
H 指数: 157 · 论文数: 2.6K
B
Beate I. Escher
H 指数: 91 · 论文数: 510
T
Tudor I. Oprea
H 指数: 85 · 论文数: 509
G
Gisbert Schneider
H 指数: 82 · 论文数: 634
A
Alexander Tropsha
H 指数: 82 · 论文数: 580
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