Bioinformatics | Chemistry | Pharmacology Learning protein-ligand binding affinity with atomic environment vectors. August 15, 2021
Chemistry | Food Science Method Superior to Traditional Spectral Identification: FT-NIR Two-Dimensional Correlation Spectroscopy Combined with Deep Learning to Identify the Shelf Life of Fresh . August 9, 2021
Chemistry | Machine Learning | Quantum Mechanics A Fragmentation-Based Graph Embedding Framework for QM/ML. August 3, 2021
Chemistry | Physics Understanding simple liquids through statistical and deep learning approaches. July 9, 2021
Bioinformatics | Chemistry | Pharmacology Prediction of drug metabolites using neural machine translation. June 7, 2021
Biology | Chemistry | Engineering | Materials Science | Physics “Dividing and Conquering” and “Caching” in Molecular Modeling. June 2, 2021
Chemistry | Computational Biology Protein Structure Prediction: Conventional and Deep Learning Perspectives. May 29, 2021
Chemistry | Food Science | Machine Learning Identification of cumin and fennel from different regions based on generative adversarial networks and near infrared spectroscopy. May 28, 2021
Chemistry | Materials Science | Physics A machine learning platform for the discovery of materials. May 28, 2021
Chemistry | Drug Discovery A merged molecular representation learning for molecular properties prediction with a web-based service. May 27, 2021
Chemistry | Pharmaceutical Sciences DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges. May 22, 2021