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Journal of Cheminformatics
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January 31, 2024
DLM-DTI: a dual language model for the prediction of drug-target interaction with hint-based learning
Jonghyun Lee, Dae Won Jun, Ildae Song, et al.
Journal of Cheminformatics
|
July 25, 2023
Explaining compound activity predictions with a substructure-aware loss for graph neural networks
Kenza Amara, Raquel Rodríguez-Pérez, José Jiménez-Luna
Journal of Cheminformatics
|
August 11, 2023
A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data
Baiqing Li, Shimin Su, Chan Zhu, et al.
Journal of Cheminformatics
|
April 14, 2026
Torsion angular bin strings: algorithmic update and additional validation
Jessica Braun, Djahan Lamei, Philippe H Hünenberger, et al.
Journal of Cheminformatics
|
April 16, 2024
Classification of substances by health hazard using deep neural networks and molecular electron densities
Satnam Singh, Gina Zeh, Jessica Freiherr, et al.
Journal of Cheminformatics
|
May 12, 2024
Distance plus attention for binding affinity prediction
Julia Rahman, M A Hakim Newton, Mohammed Eunus Ali, et al.
Journal of Cheminformatics
|
May 10, 2024
CIME4R: Exploring iterative, AI-guided chemical reaction optimization campaigns in their parameter space
Christina Humer, Rachel Nicholls, Henry Heberle, et al.
Journal of Cheminformatics
|
April 26, 2024
Classification of battery compounds using structure-free Mendeleev encodings
Zixin Zhuang, Amanda S Barnard
Journal of Cheminformatics
|
April 29, 2024
QuanDB: a quantum chemical property database towards enhancing 3D molecular representation learning
Zhijiang Yang, Tengxin Huang, Li Pan, et al.
Journal of Cheminformatics
|
April 6, 2024
Comprehensive machine learning boosts structure-based virtual screening for PARP1 inhibitors
Klaudia Caba, Viet-Khoa Tran-Nguyen, Taufiq Rahman, et al.
Page
of 137
Search research articles
Search
Showing results (981-990 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
January 31, 2024
DLM-DTI: a dual language model for the prediction of drug-target interaction with hint-based learning
Jonghyun Lee, Dae Won Jun, Ildae Song, et al.
Journal of Cheminformatics
|
July 25, 2023
Explaining compound activity predictions with a substructure-aware loss for graph neural networks
Kenza Amara, Raquel Rodríguez-Pérez, José Jiménez-Luna
Journal of Cheminformatics
|
August 11, 2023
A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data
Baiqing Li, Shimin Su, Chan Zhu, et al.
Journal of Cheminformatics
|
April 14, 2026
Torsion angular bin strings: algorithmic update and additional validation
Jessica Braun, Djahan Lamei, Philippe H Hünenberger, et al.
Journal of Cheminformatics
|
April 16, 2024
Classification of substances by health hazard using deep neural networks and molecular electron densities
Satnam Singh, Gina Zeh, Jessica Freiherr, et al.
Journal of Cheminformatics
|
May 12, 2024
Distance plus attention for binding affinity prediction
Julia Rahman, M A Hakim Newton, Mohammed Eunus Ali, et al.
Journal of Cheminformatics
|
May 10, 2024
CIME4R: Exploring iterative, AI-guided chemical reaction optimization campaigns in their parameter space
Christina Humer, Rachel Nicholls, Henry Heberle, et al.
Journal of Cheminformatics
|
April 26, 2024
Classification of battery compounds using structure-free Mendeleev encodings
Zixin Zhuang, Amanda S Barnard
Journal of Cheminformatics
|
April 29, 2024
QuanDB: a quantum chemical property database towards enhancing 3D molecular representation learning
Zhijiang Yang, Tengxin Huang, Li Pan, et al.
Journal of Cheminformatics
|
April 6, 2024
Comprehensive machine learning boosts structure-based virtual screening for PARP1 inhibitors
Klaudia Caba, Viet-Khoa Tran-Nguyen, Taufiq Rahman, et al.
Page
of 137