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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

(4)

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Working Paper

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Joshua Hochuli

4 results in Authors: Joshua Hochuli

Theoretical and Computational Chemistry

One size does not fit all: revising traditional paradigms for QSAR-based virtual screenings.

James Wellnitz, Sankalp Jain, Joshua Hochuli, Travis Maxfield, Eugene Muratov, Alexander Tropsha, Alexey Zakharov

Version 1 posted 26 December 2023

179

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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

915

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Biological and Medicinal Chemistry

Discovery of Potential GSK-3β Allosteric Modulators for Alzheimer’s Disease

Guilherme Martins Silva, Vinicius Medeiros Alves, Suzane Quintana Gomes, Joshua Earl Hochuli, Eugene Muratov, Alexander Tropsha, Carlos Henrique Tomich Paula Silva

Version 1 posted 23 March 2023

320

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Theoretical and Computational Chemistry

AI-driven discovery of synergistic drug combinations against pancreatic cancer

Mohsen Pourmousa, Sankalp Jain, Elena Barnaeva, Wengong Jin, Joshua Hochuli, Zina Itkin, Travis Maxfield, Cleber Melo-Filho, Andrew Thieme, Kelli Wilson, Carleen Klumpp-Thomas, Sam Michael, Noel Southall, Tommi Jaakkola, Eugene Muratov, Regina Barzilay, Alexander Tropsha, Marc Ferrer, Alexey Zakharov

Version 1 posted 30 April 2024

156

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