Purdue University drug discovery researchers have created a new framework for mining data for training machine learning models. The framework, called Lemon, helps drug researchers better mine the Protein Data Base (PDB) — a comprehensive resource with more than 140,000 biomolecular structures and with new ones being released every week. The work is published inContinue reading “This ‘lemon’ could help machine learning create better drugs”
Category Archives: Drug Design
Plant-derived SVC112 hits cancer stem cells, leaves healthy cells alone
The red, tube-shaped flowers of the firecracker bush (Bouvardia ternifolia), native to Mexico and the American Southwest, attract hummingbirds. The bush also provides the chemical bouvardin, which the lab of University of Colorado Cancer Center and CU Boulder researcher, Tin Tin Su, PhD, and others have shown to slow a cancer’s ability to make proteinsContinue reading “Plant-derived SVC112 hits cancer stem cells, leaves healthy cells alone”
How is Chemoinformatics Used in Drug Discovery?
Chemoinformatics is a relatively new principle of chemistry and is based upon the processing of data concerning chemical and molecular structures through the use of computational analysis. The analysis of these data allows the relationship between chemical structure, chemical properties, and molecular activity to be studied. It is an in silico technique, which means itContinue reading “How is Chemoinformatics Used in Drug Discovery?”
Webinar on Pharmaceutical Chemistry 