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Molecular Pharmaceutics|July 14, 2017
druGAN: An Advanced Generative Adversarial Autoencoder Model for de Novo Generation of New Molecules with Desired Molecular Properties in SilicoArtur Kadurin, Sergey Nikolenko, Kuzma Khrabrov, et al.Aging|August 9, 2025
AI-driven toolset for IPF and aging research associates lung fibrosis with accelerated agingFedor Galkin, Shan Chen, Alex Aliper, et al.Ageing Research Reviews|November 26, 2018
Artificial intelligence for aging and longevity research: Recent advances and perspectivesAlex Zhavoronkov, Polina Mamoshina, Quentin Vanhaelen, et al.Ageing Research Reviews|April 10, 2020
Biohorology and biomarkers of aging: Current state-of-the-art, challenges and opportunitiesFedor Galkin, Polina Mamoshina, Alex Aliper, et al.Molecular Pharmaceutics|March 24, 2018
Adversarial Threshold Neural Computer for Molecular de Novo DesignEvgeny Putin, Arip Asadulaev, Quentin Vanhaelen, et al.Iscience|June 14, 2020
Human Gut Microbiome Aging Clock Based on Taxonomic Profiling and Deep LearningFedor Galkin, Polina Mamoshina, Alex Aliper, et al.Journal of Chemical Information and Modeling|April 26, 2024
COSMIC: Molecular Conformation Space Modeling in Internal Coordinates with an Adversarial FrameworkMaksim Kuznetsov, Fedor Ryabov, Roman Schutski, et al.Clinical Pharmacology and Therapeutics|July 24, 2023
Prediction of Clinical Trials Outcomes Based on Target Choice and Clinical Trial Design with Multi-Modal Artificial IntelligenceAlex Aliper, Roman Kudrin, Daniil Polykovskiy, et al.Journal of Cheminformatics|December 24, 2024
AttenhERG: a reliable and interpretable graph neural network framework for predicting hERG channel blockersTianbiao Yang, Xiaoyu Ding, Elizabeth McMichael, et al.Drug Discovery Today|June 18, 2023
Quantum computing for near-term applications in generative chemistry and drug discoveryAlexey Pyrkov, Alex Aliper, Dmitry Bezrukov, et al.Pageof 7