Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction

R Gorantla, A Kubincova, B Suutari… - Journal of Chemical …, 2024 - ACS Publications
Active learning (AL) has become a powerful tool in computational drug discovery, enabling
the identification of top binders from vast molecular libraries. To design a robust AL protocol …
被引用次数：3 相关文章

Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction.

R Gorantla, A Kubincová, B Suutari… - Journal of Chemical …, 2024 - europepmc.org
Active learning (AL) has become a powerful tool in computational drug discovery, enabling
the identification of top binders from vast molecular libraries. To design a robust AL protocol …

Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction

R Gorantla, A Kubincová, B Suutari… - Journal of Chemical …, 2024 - research.ed.ac.uk
Active learning (AL) has become a powerful tool in computational drug discovery, enabling
the identification of top binders from vast molecular libraries. To design a robust AL protocol …
[PDF] ed.ac.uk

[PDF][PDF] Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction

J. Chem. Inf. Model, 2024 - pure.ed.ac.uk
Active learning (AL) has become a powerful tool in computational drug discovery, enabling
the identification of top binders from vast molecular libraries. To design a robust AL protocol …
[HTML] nih.gov

[HTML][HTML] Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction

R Gorantla, A Kubincová, B Suutari… - Journal of Chemical …, 2024 - ncbi.nlm.nih.gov
Active learning (AL) has become a powerful tool in computational drug discovery, enabling
the identification of top binders from vast molecular libraries. To design a robust AL protocol …

Benchmarking active learning protocols for ligand binding affinity prediction

R Gorantla, A Kubincova, B Suutari, BP Cossins, A Mey - bioRxiv, 2023 - biorxiv.org
Active learning (AL) has become a powerful tool in computational drug discovery, enabling
the identification of top binders from vast molecular libraries with reduced costs for relative …

Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction

R Gorantla, A Kubincová, B Suutari… - Journal of …, 2024 - pubmed.ncbi.nlm.nih.gov
Active learning (AL) has become a powerful tool in computational drug discovery, enabling
the identification of top binders from vast molecular libraries. To design a robust AL protocol …

Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction.

R Gorantla, A Kubincová, B Suutari… - Journal of Chemical …, 2024 - europepmc.org
Active learning (AL) has become a powerful tool in computational drug discovery, enabling
the identification of top binders from vast molecular libraries. To design a robust AL protocol …