Publications by authors named "Jochen Sieg"

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SmartChemist─Simplifying Communication About Organic Chemical Structures.
Torben Gutermuth, Patrick Penner, Jochen Sieg, Uschi Dolfus, Matthias Rarey

J Chem Inf Model· September 2025

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Analysis of uncertainty of neural fingerprint-based models.
Christian W Feldmann, Jochen Sieg, Miriam Mathea

Faraday Discuss· January 2025

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MolPipeline: A Python Package for Processing Molecules with RDKit in Scikit-learn.
Jochen Sieg, Christian W Feldmann, Jennifer Hemmerich, Conrad Stork, Frederik Sandfort

J Chem Inf Model· December 2024

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Transformers for Molecular Property Prediction: Lessons Learned from the Past Five Years.
Afnan Sultan, Jochen Sieg, Miriam Mathea, Andrea Volkamer

J Chem Inf Model· August 2024

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Searching similar local 3D micro-environments in protein structure databases with MicroMiner.
Jochen Sieg, Matthias Rarey

Brief Bioinform· September 2023

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Modeling with Alternate Locations in X-ray Protein Structures.
Torben Gutermuth, Jochen Sieg, Tim Stohn, Matthias Rarey

J Chem Inf Model· April 2023

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Analyzing structural features of proteins from deep-sea organisms.
Jochen Sieg, Chris Claudius Sandmeier, Julia Lieske, Alke Meents, Christian Lemmen

Proteins· August 2022

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ProteinsPlus: a comprehensive collection of web-based molecular modeling tools.
Katrin Schöning-Stierand, Konrad Diedrich, Christiane Ehrt, Florian Flachsenberg, Joel Graef, Jochen Sieg

Nucleic Acids Res· July 2022

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StructureProfiler: an all-in-one tool for 3D protein structure profiling.
Agnes Meyder, Stefanie Kampen, Jochen Sieg, Rainer Fährrolfes, Nils-Ole Friedrich

Bioinformatics· March 2019

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In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening.
Jochen Sieg, Florian Flachsenberg, Matthias Rarey

J Chem Inf Model· March 2019

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