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2 articles related to "3d Descriptors"

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Articles

Original Research

Published on 12 Jul 2019

Machine Learning From Molecular Dynamics Trajectories to Predict Caspase-8 Inhibitors Against Alzheimer’s Disease

in Translational Pharmacology

Salma Jamal
Abhinav Grover
Sonam Grover

Frontiers in Pharmacology

doi 10.3389/fphar.2019.00780

18,582 views
57 citations

Original Research

Published on 08 Jun 2022

Comparison of Descriptor- and Fingerprint Sets in Machine Learning Models for ADME-Tox Targets

in Theoretical and Computational Chemistry

Álmos Orosz
Károly Héberger
Anita Rácz

Frontiers in Chemistry

doi 10.3389/fchem.2022.852893

18,565 views
61 citations