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Environmental Health Perspectives|February 22, 2022
STopTox: An in Silico Alternative to Animal Testing for Acute Systemic and Topical ToxicityJoyce V B Borba, Vinicius M Alves, Rodolpho C Braga, et al.Journal of Medicinal Chemistry|April 3, 2024
Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics ProfilesMarielle Rath, James Wellnitz, Holli-Joi Martin, et al.Nature Chemical Biology|December 3, 2013
PITPs as targets for selectively interfering with phosphoinositide signaling in cellsAaron H Nile, Ashutosh Tripathi, Peihua Yuan, et al.Drug Discovery Today|February 19, 2022
Defining clinical outcome pathwaysDaniel Korn, Andrew J Thieme, Vinicius M Alves, et al.Nature Communications|April 29, 2025
AI-driven discovery of synergistic drug combinations against pancreatic cancerMohsen Pourmousa, Sankalp Jain, Elena Barnaeva, et al.Chemical Society Reviews|May 2, 2020
QSAR without bordersEugene N Muratov, Jürgen Bajorath, Robert P Sheridan, et al.Chemical Society Reviews|May 23, 2020
Correction: QSAR without bordersEugene N Muratov, Jürgen Bajorath, Robert P Sheridan, et al.Journal of Medicinal Chemistry|December 20, 2013
QSAR modeling: where have you been? Where are you going to?Artem Cherkasov, Eugene N Muratov, Denis Fourches, et al.Nucleic Acids Research|December 12, 2025
Medicines, Diseases, Indications, and Contraindications (MeDIC): a foundational resource to support drug repurposingMarcello DeLuca, Nico Matentzoglu, Elliott Sharp, et al.Chemical Society Reviews|July 2, 2021
A critical overview of computational approaches employed for COVID-19 drug discoveryEugene N Muratov, Rommie Amaro, Carolina H Andrade, et al.Pageof 26