Bioinformatics | Genomics | Pharmacology MSA-Regularized Protein Sequence Transformer toward Predicting Genome-Wide Chemical-Protein Interactions: Application to GPCRome Deorphanization. March 24, 2021
Chemistry | Computational Biology | Pharmacology Diversity oriented Deep Reinforcement Learning for targeted molecule generation. March 22, 2021
Drug Discovery | Pharmacology The challenges of generalizability in artificial intelligence for ADME/Tox endpoint and activity prediction. March 19, 2021
Neurology | Pharmacology Discovery of novel dual adenosine A1/A2A receptor antagonists using deep learning, pharmacophore modeling and molecular docking. March 19, 2021
Bioinformatics | Pharmacology Artificial Intelligence for COVID-19 Drug Discovery and Vaccine Development. March 18, 2021
Bioinformatics | Computer Science | Pharmacology FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening. March 16, 2021
Bioinformatics | Computational Biology | Pharmacology MUFFIN: Multi-Scale Feature Fusion for Drug-Drug Interaction Prediction. March 15, 2021
Bioinformatics | Pharmacology | Virology Deep learning model for virtual screening of novel 3C-like protease enzyme inhibitors against SARS coronavirus diseases. March 15, 2021
Drug Discovery | Oncology | Pharmacology Adapting the DeepSARM approach for dual-target ligand design. March 13, 2021
Pharmacology Target2DeNovoDrug: a novel programmatic tool for -deep learning based drug design for any target of interest. March 11, 2021
Bioinformatics | Pharmacology Cross-modal representation alignment of molecular structure and perturbation-induced transcriptional profiles. March 10, 2021
Computational Biology | Drug Discovery | Pharmacology A Modelling Framework for Embedding-based Predictions for Compound-Viral Protein Activity. February 27, 2021