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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Last 3 years

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hit triage

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2 results in Keywords: hit triage

Theoretical and Computational Chemistry

Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds.

Vinicius Alves, Adam Yasgar, James Wellnitz, Ganesha Bantukallu, Marielle Rath, Rodolpho Braga, Stephen Capuzzi, Anton Simeonov, Eugene Muratov, Alexey Zakharov, Alexander Tropsha

Version 1 posted 22 February 2023

568

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Biological and Medicinal Chemistry

Novel Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web-Tool for Triaging Compounds with Undesired PK Profiles

Marielle Rath, James Wellnitz, Holli-Joi Martin, Cleber Melo-Filho, Joshua Hochuli, Guilherme Martins da Silva, Jon-Michael Beasley, Travis Maxfield, Zoe Sessions, Konstantin Popov, Alexey Zakharov, Artem Cherkasov, Vinicius Alves, Eugene Muratov, Alexander Tropsha

Version 1 posted 20 March 2023

1,459

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1

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