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Molecular Informatics|August 22, 2024
The freedom space - a new set of commercially available molecules for hit discoveryMykola V Protopopov, Valentyna V Tararina, Fanny Bonachera, et al.Molecular Informatics|August 7, 2024
Sulfotransferase-mediated phase II drug metabolism prediction of substrates and sites using accessibility and reactivity-based algorithmsShivam Kumar Vyas, Avik Das, Upadhyayula Suryanarayana Murty, et al.Molecular Informatics|June 12, 2024
Prediction of blood-brain barrier permeability using machine learning approaches based on various molecular representationLi Liang, Zhiwen Liu, Xinyi Yang, et al.Molecular Informatics|October 27, 2023
GUIDEMOL: A Python graphical user interface for molecular descriptors based on RDKitJoao Aires-de-SousaMolecular Informatics|September 14, 2023
AliNA - a deep learning program for RNA secondary structure predictionShamsudin S Nasaev, Artem R Mukanov, Ivan I Kuznetsov, et al.Molecular Informatics|February 15, 2024
An ensemble-based approach to estimate confidence of predicted protein-ligand binding affinity valuesMilad Rayka, Morteza Mirzaei, Ali Mohammad LatifiMolecular Informatics|January 30, 2024
The macrocycle inhibitor landscape of SLC-transporterNejra Granulo, Sergey Sosnin, Daniela Digles, et al.Molecular Informatics|June 5, 2024
BIOMX-DB: A web application for the BIOFACQUIM natural product databaseFernando Martínez-Urrutia, José L Medina-FrancoMolecular Informatics|June 8, 2024
Accelerating Molecular Docking using Machine Learning MethodsAbdulsalam Y Bande, Sefer BadayMolecular Informatics|June 8, 2024
FetoML: Interpretable predictions of the fetotoxicity of drugs based on machine learning approachesMyeonghyeon Jeong, Sunyong YooPageof 101