Bioinformatics | Computational Biology HTFSMMA: Higher-Order Topological Guided Small Molecule-MicroRNA Associations Prediction. August 7, 2024
Bioinformatics | Chemistry | Pharmacology Stereochemically-aware bioactivity descriptors for uncharacterized chemical compounds. June 18, 2024
Other Predicting small molecules solubility on endpoint devices using deep ensemble neural networks. April 19, 2024
Drug Discovery | Oncology | Pharmacology Kinome-Wide Virtual Screening by Multi-Task Deep Learning. March 13, 2024
Biochemistry | Biophysics | Molecular Biology Generalized biomolecular modeling and design with RoseTTAFold All-Atom. March 7, 2024
Chemoinformatics | Data Science | Machine Learning Small molecule autoencoders: architecture engineering to optimize latent space utility and sustainability. March 5, 2024
Drug Development | Pharmacology | Toxicology ToxMPNN: A deep learning model for small molecule toxicity prediction. February 27, 2024
Agrochemistry | Chemistry | Drug Discovery | Food Chemistry | Natural Product Research The pursuit of accurate predictive models of the bioactivity of small molecules. February 9, 2024
Biochemistry | Neurology Molecular Graph-Based Deep Learning Algorithm Facilitates an Imaging-Based Strategy for Rapid Discovery of Small Molecules Modulating Biomolecular Condensates. November 8, 2023
Bioinformatics | Drug Development | Pharmaceutical Sciences Recent Deep Learning Applications to Structure-Based Drug Design. September 7, 2023
Bioinformatics | Computational Biology | Machine Learning Linear-Scaling Kernels for Protein Sequences and Small Molecules Outperform Deep Learning While Providing Uncertainty Quantitation and Improved Interpretability. July 27, 2023
Bioinformatics | Pharmacology DeepdlncUD: Predicting regulation types of small molecule inhibitors on modulating lncRNA expression by deep learning. July 14, 2023