Nature

Targeting RNA with small molecules using state-of-the-art methods provides highly predictive affinities of riboswitch inhibitors

Targeting RNA with small molecules represents a promising yet relatively unexplored avenue for the design of new drugs. Nevertheless, challenges arise from the lack of computational models and ...
Nature

Ensembling methods for protein-ligand binding affinity prediction

Protein-ligand binding affinity prediction is a key element of computer-aided drug discovery. Most of the existing deep learning methods for protein-ligand binding affinity prediction utilize single ...
National Academies of Sciences%2c Engineering%2c and Medicine

Using Multiple Data Sources and State-of-the-Art Estimation Methods in Federal Statistics: Frameworks, Methods, and Assessment

An ad hoc panel of nationally renowned experts in social science research, computing technology, statistical methods, privacy, and use of alternative data sources in the United States and abroad will ...