Bioinformatics | Dermatology | Pharmacology A Top-Down Design Approach for Generating a Peptide PROTAC Drug Targeting Androgen Receptor for Androgenetic Alopecia Therapy. June 5, 2024
Drug Discovery | Pharmaceutical Sciences Enhancing Molecular Property Prediction through Task-Oriented Transfer Learning: Integrating Universal Structural Insights and Domain-Specific Knowledge. May 15, 2024
Biochemistry | Chemistry | Pharmaceutical Sciences Artificial Intelligence-Assisted Optimization of Antipigmentation Tyrosinase Inhibitors: Molecular Generation Based on a Low Activity Lead Compound. April 23, 2024
Chemical Biology | Medicinal Chemistry Multi_CycGT: A Deep Learning-Based Multimodal Model for Predicting the Membrane Permeability of Cyclic Peptides. January 25, 2024
Biomedical Informatics | Drug design | Pharmaceutical Sciences RediscMol: Benchmarking Molecular Generation Models in Biological Properties. January 5, 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
Drug Development | Pharmacology Prediction of Small-Molecule Developability Using Large-Scale ADMET Models. October 10, 2023
Drug Discovery | Machine Learning | Pharmacology Multiobjective Molecular Optimization for Opioid Use Disorder Treatment Using Generative Network Complex. August 25, 2023
Chemistry | Pharmacology Design of Nurr1 Agonists Fragment-Augmented Generative Deep Learning in Low-Data Regime. May 31, 2023
Bioinformatics | Chemistry | Pharmacology ChemistGA: A Chemical Synthesizable Accessible Molecular Generation Algorithm for Real-World Drug Discovery. September 6, 2022
Bioinformatics | Pharmacology RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design. June 17, 2022
Gastroenterology | Pharmacology Discovery of Pyrazolo[3,4-]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation. November 25, 2021