Search

Drug Discovery random matrix theory protein–ligand affinity computational pharmacology statistical physics

Predicting ligand biological activity is a key challenge in drug discovery. Ligand-based statistical approaches are often hampered by noise due to undersampling: The number of molecules known to be active or inactive is vastly...

bioactivity prediction chemoinformatics ligand-based drug discovery Machine Learning random matrix theory Drug Discovery Humans Ligands Models Statistical Muscarinic Antagonists Receptors Muscarinic

UNLABELLED: There is an increasing body of work exploring the integration of random projection into algorithms for numerical linear algebra. The primary motivation is to reduce the overall computational cost of processing large...

article Sketching random matrix theory random projection

Bioinformatics chemical physics & physical chemistry Data analysis random matrix theory statistical methods

UNLABELLED: There is an increasing body of work exploring the integration of random projection into algorithms for numerical linear algebra. The primary motivation is to reduce the overall computational cost of processing large...

random matrix theory random projection Sketching