Chemistry | Machine Learning Comparative Study of Deep Generative Models on Chemical Space Coverage. May 21, 2021
Bioinformatics | Chemistry | Pharmaceutical Sciences Computational Representations of Protein-ligand Interfaces for Structure-based Virtual Screening. May 20, 2021
Bioinformatics | Chemistry | Computational Biology A Deep Graph Network-Enhanced Sampling Approach to Efficiently Explore the Space of Reduced Representations of Proteins. May 18, 2021
Chemistry | Pharmacology Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study. May 14, 2021
Chemistry | Materials Science | Physics Computational Discovery of New 2D Materials Using Deep Learning Generative Models. May 14, 2021
Artificial Intelligence | Chemistry | Pharmacology Artificial Intelligence and Cheminformatics-guided Modern Privileged Scaffold Research. May 13, 2021
Biology | Chemistry | Image processing Automated Nanoparticle Analysis in Surface Plasmon Resonance Microscopy. May 11, 2021
Biotechnology | Chemistry | Food Science Surface-enhanced Raman spectroscopywith gold nanorods modified by sodium citrate and liquid-liquid interface self-extraction for detection of deoxynivalenol in Fusarium head blight-infected wheat kernels coupled with a fully convolution network. May 8, 2021
Chemistry Inferring experimental procedures from text-based representations of chemical reactions. May 7, 2021
Chemistry | Material Science Enhancing deep-learning training for phase identification in powder X-ray diffractograms. May 6, 2021
Bioinformatics | Chemistry | Mass Spectrometry Current and future deep learning algorithms for MS/MS-based small molecule structure elucidation. May 6, 2021