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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Marielle Rath

4 results in Authors: Marielle Rath

Biological and Medicinal Chemistry

STOPLIGHT: A Hit Scoring Calculator

James Wellnitz, Holli-Joi Martin, Mohammad Hossain, Marielle Rath, Colton Fox, Konstantin Popov, Timothy Willson, Eugene Muratov, Alexander Tropsha

Version 1 posted 24 August 2023

322

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Biological and Medicinal Chemistry

PregPred: an In-Silico Alternative to Animal Testing for Predicting Developmental Toxicity Potential

Ricardo Tieghi, Marielle Rath, Jose Moreira-Filho, James Wellnitz, Holli-Joi Martin, Kathleen Gates, Helena Hogberg-Durdock, Nicole Kleinstreuer, Alexander Tropsha, Eugene Muratov

Version 1 posted 04 April 2024

324

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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

978

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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

463

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