https://www.sciencedaily.com/releases/2019/12/191220074256.htm

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 in the Oct. 15 edition of Bioinformatics.

"PDB is an essential tool for the drug discovery community," said Gaurav Chopra, an assistant professor of analytical and physical chemistry in Purdue's College of Science who works with other researchers in the Purdue Institute for Drug Discovery and led the team that created Lemon. "The problem is that it can take an enormous amount of time to sort through all the accumulated data. Machine learning can help, but you still need a strong framework from which the computer can quickly analyze data to help in the creation of safe and effective drugs."