Bioinformatics | Chemistry | Food Science Development and assessment of a lysophospholipid-based deep learning model to discriminate geographical origins of white rice. March 18, 2019
Chemistry | Data Science | Spectroscopy Deep learning-based component identification for the Raman spectra of mixtures. March 4, 2019
Chemistry | Data Science Identifying Structure-Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism. February 25, 2019
Chemistry | Drug Discovery Enhancing Retrosynthetic Reaction Prediction with Deep Learning Using Multiscale Reaction Classification. February 25, 2019
Chemistry | Materials Science Towards calibration-invariant spectroscopy using deep learning. February 20, 2019
Artificial Intelligence | Chemistry | Drug Discovery Improving Chemical Autoencoder Latent Space and Molecular Generation Diversity with Heteroencoders. February 19, 2019
Bioinformatics | Chemistry | Machine Learning Dissecting Machine-Learning Prediction of Molecular Activity: Is an Applicability Domain Needed for Quantitative Structure-Activity Relationship Models Based on Deep Neural Networks? January 28, 2019
Chemistry | Machine Learning | Microscopy Chemical crystal identification with deep learning machine vision. January 18, 2019
Bioinformatics | Chemistry | Pharmacology LigVoxel: inpainting binding pockets using 3D-convolutional neural networks. January 16, 2019
Chemistry | Computational Science ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost. January 12, 2019
Chemistry | Materials Science Prediction of Carbon Dioxide Adsorption via Deep Learning. December 18, 2018
Chemistry | Materials Science ElemNet: Deep Learning the Chemistry of Materials From Only Elemental Composition. December 17, 2018