Medicinal Chemistry | Oncology From deep learning to the discovery of promising VEGFR-2 inhibitors. May 10, 2024
Bioorganic Chemistry | Medicinal Chemistry Prospective de novo drug design with deep interactome learning. April 22, 2024
Drug Discovery | Medicinal Chemistry Adapting Deep Learning QSPR Models to Specific Drug Discovery Projects. February 19, 2024
Bioinformatics | Medicinal Chemistry | Pharmacology Recent applications of artificial intelligence in RNA-targeted small molecule drug discovery. February 7, 2024
Chemical Biology | Medicinal Chemistry Multi_CycGT: A Deep Learning-Based Multimodal Model for Predicting the Membrane Permeability of Cyclic Peptides. January 25, 2024
Medicinal Chemistry | Pharmacology Synthetically Accessible de novo Design using Reaction Vectors: Application to PARP1 Inhibitors. January 23, 2024
Drug design | Medicinal Chemistry Geometric Deep Learning for Structure-Based Ligand Design. January 1, 2024
Bioinformatics | Medicinal Chemistry | Molecular Biology | Pharmacology Artificial intelligence based de-novo design for novel plasmepsin (PM) X inhibitors. November 9, 2023
Computer-Aided Drug Design | Medicinal Chemistry | Pharmaceutical Sciences Conformer Generation for Structure-Based Drug Design: How Many and How Good? October 30, 2023
Drug Discovery | Medicinal Chemistry Fragment-pair based drug molecule solubility prediction through attention mechanism. October 26, 2023
Medicinal Chemistry | Pharmaceutical Science Revolutionizing Medicinal Chemistry: The Application of Artificial Intelligence (AI) in Early Drug Discovery. September 28, 2023
Chemical Engineering | Medicinal Chemistry | Pharmaceutical Chemistry A machine learning approach for thermodynamic modeling of the statically measured solubility of nilotinib hydrochloride monohydrate (anti-cancer drug) in supercritical CO. August 9, 2023