Approaching Coupled-Cluster Accuracy for Molecular Electronic Structures with Multi-Task Learning

Chemistry, Computational Chemistry, Materials Science, Information Science, Artificial Intelligence,
multi-task learning   coupled-cluster methods   molecular electronic structure   quantum chemistry   machine learning  

Machine Learning Boosts Quantum Chemistry: Predicting Molecular Electronic Structures Approaching Coupled-Cluster Accuracy Academic Background In physics, chemistry, and materials science, computational methods are key tools for uncovering the mechanisms behind diverse physical phenomena and accelerating materials design. However, quantum chemistry...

A Deep Learning Approach for Rational Ligand Generation with Toxicity Control

Chemistry, Medicinal Chemistry, Information Science, Artificial Intelligence, Life Sciences, Biochemistry,
deep learning   ligand generation   toxicity control   drug design   computational model   block-based generation   molecular optimization  

Latest Research on Deep Learning Applied to Target Protein Ligand Generation: Proposal and Validation of the DeepBlock Framework Background and Research Problem In the drug discovery process, finding ligand molecules that bind to specific proteins has always been a core objective. However, current virtual screening methods are often limited by the ...

Spin-Symmetry-Enforced Solution of the Many-Body Schrödinger Equation with a Deep Neural Network

Physics, Quantum Physics, Chemistry, Computational Chemistry, Information Science, Artificial Intelligence,
deep neural networks   Schrödinger equation   spin symmetry   quantum states   photochemistry   multi-reference systems   electron correlation  

Research on Deep Learning Framework for Spin-Symmetry-Enforced Solutions to the Many-Body Schrödinger Equation: A Groundbreaking Achievement In the fields of quantum physics and quantum chemistry, the description of many-body electron systems has always been an important yet highly challenging topic. Accurately characterizing strong electron-electr...

Glepaglutide-Loaded Foam for Inducing Mucosal Healing in Inflammatory Bowel Disease Treatment

Chemistry, Medicinal Chemistry, Medicine, Medical Laboratory Science, Gastroenterology, Pharmacy, Life Sciences, Biochemistry, Immunology,
Mucosal Healing   Inflammatory Bowel Disease   Glepaglutide   Local Delivery   Anti-inflammatory Properties  

A Novel Rectal Foam Formulation for the Treatment of Inflammatory Bowel Disease In recent years, the incidence of inflammatory bowel disease (IBD), characterized by mucosal damage, chronic inflammation, and recurrent episodes, has been steadily rising, yet ideal therapeutic solutions remain elusive. Researchers have identified a 33-amino acid pepti...

Efficacy and Cellular Mechanism of Biomimetic Marine Adhesive Protein-Based Coating Against Skin Photoaging

Chemistry, Nanoscience, Polymer Chemistry, Medicinal Chemistry, Materials Chemistry, Medicine, Medical Laboratory Science, Life Sciences, Cell Biology,
biomimetic   marine adhesive protein   skin photoaging   antioxidant   tissue repair   wet adhesion   protective coating  

Research Advances on the Use of Biomimetic Marine Adhesive Protein Coating for Skin Photoaging Prevention Skin photoaging is a significant global health issue, particularly for individuals exposed to prolonged ultraviolet (UV) radiation in outdoor environments. Its manifestations include a reduction in collagen, increased wrinkles, loss of skin ela...