Bioinformatics | Data Science | Pharmacology Learning long- and short-term dependencies for improving drug-target binding affinity prediction using transformer and edge contraction pooling. April 3, 2024
Chemical Toxicology | Drug Discovery | Ophthalmology In silico prediction of ocular toxicity of compounds using explainable machine learning and deep learning approaches. February 8, 2024
Chemistry | Drug Discovery | Precision Medicine An end-to-end deep learning framework for translating mass spectra to de-novo molecules. June 23, 2023
Chemistry | Data Science | Environmental Science Prediction and Structure-Activity Relationship Analysis on Ready Biodegradability of Chemical Using Machine Learning Method. April 5, 2023
Biochemistry | Chemistry Automatic classification of signal regions in H Nuclear Magnetic Resonance spectra. January 30, 2023
Computational Drug Discovery | Material Informatics Molecular Design Method Using a Reversible Tree Representation of Chemical Compounds and Deep Reinforcement Learning. October 18, 2022
Bioinformatics | Chemistry | Drug Discovery On modeling and utilizing chemical compound information with deep learning technologies: A task-oriented approach. September 2, 2022
Chemistry | Drug Discovery | Pharmacology Exploration of chemical space with partial labeled noisy student self-training and self-supervised graph embedding. May 3, 2022
Medicinal Chemistry | Pharmacology DeLA-Drug: A Deep Learning Algorithm for Automated Design of Druglike Analogues. March 16, 2022
Chemistry | Neuroscience SMILES to Smell: Decoding the Structure-Odor Relationship of Chemical Compounds Using the Deep Neural Network Approach. January 15, 2021
Chemistry | Pharmaceutical Sciences REINVENT 2.0: An AI Tool for De Novo Drug Design. October 29, 2020