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Biological and Medicinal Chemistry

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Ligand Based Virtual Screening

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2 results in Keywords: Ligand Based Virtual Screening

Biological and Medicinal Chemistry

The Missing Label Problem: Addressing False Assumptions Improves Ligand-Based Virtual Screening

Lewis Martin, Michael Bowen

Version 1 posted 04 September 2019

512

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Biological and Medicinal Chemistry

Graph neural networks and molecular docking as two complementary approaches for virtual screening: a case study on Cruzain

Adriano Martin Luchi, José Leonardo Gomez Chávez, Roxana Noelia Villafañe, Germán Andrés Conti, Ernesto Rafael Pérez, Emilio Angelina, Nélida María Peruchena

Version 1 posted 21 December 2022

310

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