collaborators

1 paper

cs.OH2019

FPScreen: A Rapid Similarity Search Tool for Massive Molecular Library Based on Molecular Fingerprint Comparison

Lijun Wang, Jianbing Gong, Yingxia Zhang +2

We designed a fast similarity search engine for large molecular libraries: FPScreen. We downloaded 100 million molecules' structure files in PubChem with SDF extension, then applie…