Artificial Intelligence | Chemistry | Drug Discovery Deep Learning Applied to Ligand-Based De Novo Drug Design. November 3, 2021
Chemistry | Material Science Knowledge-Embedded Message-Passing Neural Networks: Improving Molecular Property Prediction with Human Knowledge. November 1, 2021
Biology | Chemistry DGL-LifeSci: An Open-Source Toolkit for Deep Learning on Graphs in Life Science. October 25, 2021
Chemistry | Computational Science | Materials Science Graph network based deep learning of bandgaps. October 23, 2021
Chemistry | Machine Learning | Materials Science A machine learning model to classify dynamic processes in liquid water. October 18, 2021
Chemistry | Computational Chemistry Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/Molecular Mechanical Simulations of Chemical Reactions in Solution. October 13, 2021
Artificial Intelligence | Chemistry | Environmental Science Detection of heavy metal lead in lettuce leaves based on fluorescence hyperspectral technology combined with deep learning algorithm. October 12, 2021
Bioinformatics | Biology | Chemistry | Computer Science Informatics Ecosystems to Advance the Biology of Glycans. October 9, 2021
Chemistry | Pharmacology Generative Adversarial Networks for De Novo Molecular Design. October 8, 2021
Biotechnology | Chemistry Exploiting machine learning for bestowing intelligence to microfluidics. October 2, 2021