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Journal of Cheminformatics
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June 30, 2023
Improving reproducibility and reusability in the Journal of Cheminformatics
Charles Tapley Hoyt, Barbara Zdrazil, Rajarshi Guha, et al.
Journal of Cheminformatics
|
October 22, 2025
Correction: Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries
Hongtao Zhao, Eva Nittinger, Melissa A Yu, et al.
Journal of Cheminformatics
|
October 14, 2025
Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries
Hongtao Zhao, Eva Nittinger, Melissa A Yu, et al.
Journal of Chemical Information and Modeling
|
February 17, 2025
AI-Augmented R-Group Exploration in Medicinal Chemistry
Hongtao Zhao, Karolina Kwapień, Eva Nittinger, et al.
Journal of Cheminformatics
|
August 30, 2023
Similarity-based pairing improves efficiency of siamese neural networks for regression tasks and uncertainty quantification
Yumeng Zhang, Janosch Menke, Jiazhen He, et al.
Journal of Cheminformatics
|
February 20, 2026
PROTAC-Splitter: a machine learning framework for automated identification of PROTAC substructures
Stefano Ribes, Ranxuan Zhang, Télio Cropsal, et al.
Journal of Cheminformatics
|
August 8, 2024
Evaluation of reinforcement learning in transformer-based molecular design
Jiazhen He, Alessandro Tibo, Jon Paul Janet, et al.
Journal of Medicinal Chemistry
|
May 13, 2017
Large-Scale Analysis of Hydrogen Bond Interaction Patterns in Protein-Ligand Interfaces
Eva Nittinger, Therese Inhester, Stefan Bietz, et al.
Journal of Cheminformatics
|
March 29, 2022
Transformer-based molecular optimization beyond matched molecular pairs
Jiazhen He, Eva Nittinger, Christian Tyrchan, et al.
Nucleic Acids Research
|
May 5, 2017
ProteinsPlus: a web portal for structure analysis of macromolecules
Rainer Fährrolfes, Stefan Bietz, Florian Flachsenberg, et al.
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of 3
Search research articles
Search
Showing results (11-20 of 28) with videos related to
Sort By:
Page
of 3
Journal of Cheminformatics
|
June 30, 2023
Improving reproducibility and reusability in the Journal of Cheminformatics
Charles Tapley Hoyt, Barbara Zdrazil, Rajarshi Guha, et al.
Journal of Cheminformatics
|
October 22, 2025
Correction: Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries
Hongtao Zhao, Eva Nittinger, Melissa A Yu, et al.
Journal of Cheminformatics
|
October 14, 2025
Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries
Hongtao Zhao, Eva Nittinger, Melissa A Yu, et al.
Journal of Chemical Information and Modeling
|
February 17, 2025
AI-Augmented R-Group Exploration in Medicinal Chemistry
Hongtao Zhao, Karolina Kwapień, Eva Nittinger, et al.
Journal of Cheminformatics
|
August 30, 2023
Similarity-based pairing improves efficiency of siamese neural networks for regression tasks and uncertainty quantification
Yumeng Zhang, Janosch Menke, Jiazhen He, et al.
Journal of Cheminformatics
|
February 20, 2026
PROTAC-Splitter: a machine learning framework for automated identification of PROTAC substructures
Stefano Ribes, Ranxuan Zhang, Télio Cropsal, et al.
Journal of Cheminformatics
|
August 8, 2024
Evaluation of reinforcement learning in transformer-based molecular design
Jiazhen He, Alessandro Tibo, Jon Paul Janet, et al.
Journal of Medicinal Chemistry
|
May 13, 2017
Large-Scale Analysis of Hydrogen Bond Interaction Patterns in Protein-Ligand Interfaces
Eva Nittinger, Therese Inhester, Stefan Bietz, et al.
Journal of Cheminformatics
|
March 29, 2022
Transformer-based molecular optimization beyond matched molecular pairs
Jiazhen He, Eva Nittinger, Christian Tyrchan, et al.
Nucleic Acids Research
|
May 5, 2017
ProteinsPlus: a web portal for structure analysis of macromolecules
Rainer Fährrolfes, Stefan Bietz, Florian Flachsenberg, et al.
Page
of 3