Chemistry | Pharmaceutical Sciences Quantitative analysis of excipient dominated drug formulations by Raman spectroscopy combined with deep learning. December 11, 2020
Chemistry | Pharmacology Memory-assisted reinforcement learning for diverse molecular de novo design. December 9, 2020
Biological science | Chemistry Deep learning model for classification and bioactivity prediction of essential oil-producing plants from Egypt. December 8, 2020
Chemistry | Materials Science | Physics Deep learning for characterizing the self-assembly of three-dimensional colloidal systems. December 7, 2020
Chemistry | Materials Science | Physics Fast and stable deep-learning predictions of material properties for solid solution alloys. November 17, 2020
Chemistry | Materials Science Accelerating Discovery of Metal-Organic Frameworks for Methane Adsorption with Hierarchical Screening and Deep Learning. November 11, 2020
Biophysics | Chemistry Deep learning for variational multiscale molecular modeling. November 10, 2020
Chemistry | Data Science | Environmental Science Replacing the internal standard to estimate micropollutants using deep and machine learning. November 4, 2020
Chemistry | Materials Science An Efficient Deep Learning Scheme To Predict the Electronic Structure of Materials and Molecules: The Example of Graphene-Derived Allotropes. November 3, 2020
Biochemistry | Chemistry Virtual Screening for Reactive Natural Products and Their Probable Artifacts of Solvolysis and Oxidation. October 30, 2020
Chemistry | Drug Discovery | Material Science Deep Learning Total Energies and Orbital Energies of Large Organic Molecules Using Hybridization of Molecular Fingerprints. October 29, 2020