Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates

Research article (Journal of Chemical Information and Modeling, 2020) · cited 51× · AI/ML

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Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates

Summary

Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates is a scholarly article^[1].

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Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates's instance of is recorded as scholarly article^[2].

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Authored by 5

Carmen Esposito, Frank Oellien, Sereina Riniker, Shuzhe Wang, Udo E. W. Lange

← Author of 5

Carmen Esposito, Frank Oellien, Sereina Riniker, Shuzhe Wang, Udo E. W. Lange

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[2] ↑ Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates — instance of (P31): scholarly article. wikidata.org.

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[1] ↑ Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates is an instance of scholarly article (scholarly article) [P31, primary]. Wikidata. wikidata.org.

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4ort.xyz Knowledge Graph. (2026). Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates. Retrieved May 24, 2026, from https://4ort.xyz/entity/combining-machine-learning-and-molecular-dynamics-to-predict-p-glycoprotein-substrates

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“Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates.” 4ort.xyz Knowledge Graph, 4ort.xyz, 24 May. 2026, https://4ort.xyz/entity/combining-machine-learning-and-molecular-dynamics-to-predict-p-glycoprotein-substrates.

BibTeX

@misc{4ortxyz_combining-machine-learning-and-molecular-dynamics-to-predict-p-glycoprotein-substrates_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates}}, year = {2026}, url = {https://4ort.xyz/entity/combining-machine-learning-and-molecular-dynamics-to-predict-p-glycoprotein-substrates}, note = {Accessed: 2026-05-24}}

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According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates — https://4ort.xyz/entity/combining-machine-learning-and-molecular-dynamics-to-predict-p-glycoprotein-substrates (retrieved 2026-05-24)

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