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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-Sousa
Molecular 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 Latifi
Molecular 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-Franco
Molecular Informatics|June 8, 2024
Accelerating Molecular Docking using Machine Learning MethodsAbdulsalam Y Bande, Sefer Baday
Molecular Informatics|June 8, 2024
FetoML: Interpretable predictions of the fetotoxicity of drugs based on machine learning approachesMyeonghyeon Jeong, Sunyong Yoo
Molecular Informatics|October 15, 2024
Pathway-based prediction of the therapeutic effects and mode of action of custom-made multiherbal medicinesAkihiro Ezoe, Yuki Shimada, Ryusuke Sawada, et al.
Molecular Informatics|November 23, 2024
The Chemical Space Spanned by Manually Curated Datasets of Natural and Synthetic Compounds with Activities against SARS-CoV-2Jude Y Betow, Gemma Turon, Clovis S Metuge, et al.
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