Sebastian Böcker - Publications, H-index & Citations

Sebastian Böcker

friedrich schiller university jena

50H指数

228论文数

1.4W被引数

收录论文 58

发表时间

Times are changing but order matters: transferable prediction of small-molecule liquid chromatography retention times 时代在变，但顺序很重要：小分子液相色谱保留时间的可转移预测

Nature Methods

IF32.1

2026-10-01

OAAI

Fleming Kretschmer; Eva-Maria Harrieder; Michael Witting; Sebastian Böcker

Integration of palladium-catalyzed C–N coupling into self-encoded libraries for accelerated hit discovery 钯催化C–N偶联整合到自编码文库中以加速先导化合物发现

rsc chem. biol.

IF0

2026-04-17

OAAI

Edith van der Nol †; Zhenshuo Luo †; Qing Qing Gao †; Nils Alexander Haupt; Sebastian Böcker; Sebastian Pomplun

Enhancing Chimeric Fragmentation Spectra Deconvolution Using Direct Infusion-Tandem Mass Spectrometry Across High-Resolution Mass Spectrometric Platforms 利用直接进样-串联质谱法在高分辨质谱平台中增强嵌合碎片谱解卷积

RAPID COMMUNICATIONS IN MASS SPECTROMETRY

IF1.7

2025-11-16

OAAI

Ivanova, Arina; Tang, Wei; Simon, Carsten; Duhrkop, Kai; Bocker, Sebastian; Gleixner, Gerd

Barcode-free hit discovery from massive libraries enabled by automated small molecule structure annotation 无需条形码的大规模文库命中发现，由自动化小分子结构注释实现

Nature Communications

IF15.7

2025-10-27

OAAI

Edith van der Nol; Nils Alexander Haupt; Qing Qing Gao; Benthe A. M. Smit; Martin Andre Hoffmann; Martin Engler-Lukajewski; Marcus Ludwig; Sean McKenna; J. Miguel Mata; Olivier J. M. Béquignon; Gerard van Westen; Tiemen J. Wendel; Sylvie M. Noordermeer; Sebastian Böcker; Sebastian Pomplun

Enhancing tandem mass spectrometry-based metabolite annotation with online chemical labeling 基于串联质谱的代谢物注释增强与在线化学标记

Nature Communications

IF15.7

2025-07-26

OAAI

Giovanni Andrea Vitale; Shu-Ning Xia; Kai Dührkop; Mohammad Reza Zare Shahneh; Heike Brötz-Oesterhelt; Yvonne Mast; Corinna Brungs; Sebastian Böcker; Robin Schmid; Mingxun Wang; Chambers C. Hughes; Daniel Petras

Chemical characteristics vectors map the chemical space of natural biomes from untargeted mass spectrometry data 化学特征向量通过非靶向质谱数据映射自然生物群系的化学空间。

JOURNAL OF CHEMINFORMATICS

IF5.7

2025-05-26

OAAI

Peets, Pilleriin; Litos, Aristeidis; Duehrkop, Kai; Garza, Daniel R.; van der Hooft, Justin J. J.; Boecker, Sebastian; Dutilh, Bas E.

RepoRT: a comprehensive repository for small molecule retention times

NATURE METHODS

IF32.1

2024-01-08

PREAI

Kretschmer, Fleming; Harrieder, Eva-Maria; Hoffmann, Martin A.; Boecker, Sebastian; Witting, Michael

Combining Experimental with Computational Infrared and Mass Spectra for High-Throughput Nontargeted Chemical Structure Identification

ANALYTICAL CHEMISTRY

IF6.7

2023-08-04

PREAI

Karunaratne, Erandika; Hill, Dennis W.; Duhrkop, Kai; Bocker, Sebastian; Grant, David F.

Integrative analysis of multimodal mass spectrometry data in MZmine 3 MZmine 3中多模态质谱数据的综合分析

NATURE BIOTECHNOLOGY

IF41.7

2023-03-01

276

OAAI

Schmid, Robin; Heuckeroth, Steffen; Korf, Ansgar; Smirnov, Aleksandr; Myers, Owen; Dyrlund, Thomas S.; Bushuiev, Roman; Murray, Kevin J.; Hoffmann, Nils; Lu, Miaoshan; Sarvepalli, Abinesh; Zhang, Zheng; Fleischauer, Markus; Duehrkop, Kai; Wesner, Mark; Hoogstra, Shawn J.; Rudt, Edward; Mokshyna, Olena; Brungs, Corinna; Ponomarov, Kirill; Mutabdzija, Lana; Damiani, Tito; Pudney, Chris J.; Earll, Mark; Helmer, Patrick O.; Fallon, Timothy R.; Schulze, Tobias; Rivas-Ubach, Albert; Bilbao, Aivett; Richter, Henning; Nothias, Louis-Felix; Wang, Mingxun; Oresic, Matej; Weng, Jing-Ke; Boecker, Sebastian; Jeibmann, Astrid; Hayen, Heiko; Karst, Uwe; Dorrestein, Pieter C.; Petras, Daniel; Du, Xiuxia; Pluskal, Tomas

MAD HATTER Correctly Annotates 98% of Small Molecule Tandem Mass Spectra Searching in PubChem 疯帽匠在PubChem中正确注释了小分子串联质谱搜索的98%

METABOLITES

IF3.7

2023-02-21

OAAI

Hoffmann, Martin A. A.; Kretschmer, Fleming; Ludwig, Marcus; Boecker, Sebastian

Critical assessment of chromatographic metadata in publicly available metabolomics data repositories

METABOLOMICS

IF3.3

2022-11-27

OAAI

Harrieder, Eva-Maria; Kretschmer, Fleming; Dunn, Warwick; Boecker, Sebastian; Witting, Michael

Illuminating the dark metabolome of Pseudo-nitzschia-microbiome associations 照亮伪nitzschia-microbiome关联的黑暗代谢组

ENVIRONMENTAL MICROBIOLOGY

IF4

2022-11-16

OAAI

Koester, Irina; Quinlan, Zachary A.; Nothias, Louis-Felix; White, Margot E.; Rabines, Ariel; Petras, Daniel; Brunson, John K.; Duehrkop, Kai; Ludwig, Marcus; Boecker, Sebastian; Azam, Farooq; Allen, Andrew E.; Dorrestein, Pieter C.; Aluwihare, Lihini I.

Taxonomic classification of DNA sequences beyond sequence similarity using deep neural networks 使用深度神经网络对超出序列相似性的DNA序列进行分类

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2022-08-26

OAAI

Mock, Florian; Kretschmer, Fleming; Kriese, Anton; Beocker, Sebastian; Marz, Manja

Mass Difference Matching Unfolds Hidden Molecular Structures of Dissolved Organic Matter 质量差异匹配揭示了溶解有机物的隐藏分子结构

ENVIRONMENTAL SCIENCE & TECHNOLOGY

IF11.3

2022-07-14

OAAI

Simon, Carsten; Duehrkop, Kai; Petras, Daniel; Roth, Vanessa-Nina; Boecker, Sebastian; Dorrestein, Pieter C.; Gleixner, Gerd

MSNovelist: de novo structure generation from mass spectra MSNovelist: 从质谱中从头生成结构

NATURE METHODS

IF32.1

2022-05-30

OAAI

Stravs, Michael A.; Duehrkop, Kai; Boecker, Sebastian; Zamboni, Nicola

Interpretation of the DOME Recommendations for Machine Learning in Proteomics and Metabolomics

JOURNAL OF PROTEOME RESEARCH

IF3.6

2022-02-04

OAAI

Palmblad, Magnus; Boecker, Sebastian; Degroeve, Sven; Kohlbacher, Oliver; Kall, Lukas; Noble, William Stafford; Wilhelm, Mathias

High-confidence structural annotation of metabolites absent from spectral libraries 光谱库中缺少的代谢物的高置信度结构注释

NATURE BIOTECHNOLOGY

IF41.7

2021-10-14

125

OAAI

Hoffmann, Martin A.; Nothias, Louis-Felix; Ludwig, Marcus; Fleischauer, Markus; Gentry, Emily C.; Witting, Michael; Dorrestein, Pieter C.; Duehrkop, Kai; Boecker, Sebastian

Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment GNPS环境中基于质谱的代谢组学的离子识别分子网络

NATURE COMMUNICATIONS

IF15.7

2021-06-22

138

OAAI

Schmid, Robin; Petras, Daniel; Nothias, Louis-Felix; Wang, Mingxun; Aron, Allegra T.; Jagels, Annika; Tsugawa, Hiroshi; Rainer, Johannes; Garcia-Aloy, Mar; Duhrkop, Kai; Korf, Ansgar; Pluskal, Tomas; Kamenik, Zdenek; Jarmusch, Alan K.; Caraballo-Rodriguez, Andres Mauricio; Weldon, Kelly C.; Nothias-Esposito, Melissa; Aksenov, Alexander A.; Bauermeister, Anelize; Orio, Andrea Albarracin; Grundmann, Carlismari O.; Vargas, Fernando; Koester, Irina; Gauglitz, Julia M.; Gentry, Emily C.; Hovelmann, Yannick; Kalinina, Svetlana A.; Pendergraft, Matthew A.; Panitchpakdi, Morgan; Tehan, Richard; Le Gouellec, Audrey; Aleti, Gajender; Russo, Helena Mannochio; Arndt, Birgit; Hubner, Florian; Hayen, Heiko; Zhi, Hui; Raffatellu, Manuela; Prather, Kimberly A.; Aluwihare, Lihini, I; Bocker, Sebastian; McPhail, Kerry L.; Humpf, Hans-Ulrich; Karst, Uwe; Dorrestein, Pieter C.

Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra 使用高分辨率碎片质谱对未知代谢物进行系统分类

NATURE BIOTECHNOLOGY

IF41.7

2020-11-23

367

OAAI

Duehrkop, Kai; Nothias, Louis-Felix; Fleischauer, Markus; Reher, Raphael; Ludwig, Marcus; Hoffmann, Martin A.; Petras, Daniel; Gerwick, William H.; Rousu, Juho; Dorrestein, Pieter C.; Boecker, Sebastian

Chemically informed analyses of metabolomics mass spectrometry data with Qemistree

NATURE CHEMICAL BIOLOGY

IF13.7

2020-11-16

OAAI

Tripathi, Anupriya; Vazquez-Baeza, Yoshiki; Gauglitz, Julia M.; Wang, Mingxun; Duehrkop, Kai; Nothias-Esposito, Melissa; Acharya, Deepa D.; Ernst, Madeleine; van der Hooft, Justin J. J.; Zhu, Qiyun; McDonald, Daniel; Brejnrod, Asker D.; Gonzalez, Antonio; Handelsman, Jo; Fleischauer, Markus; Ludwig, Marcus; Boecker, Sebastian; Nothias, Louis-Felix; Knight, Rob; Dorrestein, Pieter C.

研究方向