Chemistry | Pharmaceutical Sciences QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug Design. July 1, 2024
Computational Chemistry | Pharmaceutical Sciences Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for drug design and computational chemistry approaches. June 24, 2024
Bioinformatics | Pharmaceutical Sciences Hybrid transformer-CNN model for accurate prediction of peptide hemolytic potential. June 20, 2024
Chemistry | Pharmaceutical Sciences Highly Accurate and Explainable Predictions of Small-Molecule Antioxidants for Eight In Vitro Assays Simultaneously through an Alternating Multitask Learning Strategy. June 18, 2024
Biochemistry | Pharmaceutical Sciences Toward the Establishment of a Harmonized Physicochemical Profiling Platform for Therapeutic Oligonucleotides: A Case Study for Aptamers Where the Higher-Order Structure Influences Physical Properties. June 14, 2024
Clinical Research | Drug Discovery | Pharmaceutical Sciences Leveraging Artificial Intelligence for Synergies in Drug Discovery: From Computers to Clinics. June 14, 2024
Bioinformatics | Chemistry | Pharmaceutical Sciences Investigating molecular descriptors in cell-penetrating peptides prediction with deep learning: Employing N, O, and hydrophobicity according to the Eisenberg scale. June 13, 2024
Bioinformatics | Computational Biology | Pharmaceutical Sciences VISH-Pred: an ensemble of fine-tuned ESM models for protein toxicity prediction. June 6, 2024
Bioinformatics | Computer Science | Pharmaceutical Sciences Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design. June 6, 2024
Bioinformatics | Biotechnology | Pharmaceutical Sciences DeepSP: Deep learning-based spatial properties to predict monoclonal antibody stability. June 3, 2024
Bioinformatics | Pharmaceutical Sciences DiffBindFR: an SE(3) equivariant network for flexible protein-ligand docking. May 31, 2024
Bioinformatics | Drug Discovery | Pharmaceutical Sciences PfgPDI: Pocket feature-enabled graph neural network for protein-drug interaction prediction. May 30, 2024