PubChem

PubChem is a database that contains structure files of 100 million molecules, which are used to evaluate the performance of similarity search tools like FPScreen through molecular fingerprint comparison.

Papers using PubChem (2)

MSQ-Index: A Succinct Index for Fast Graph Similarity Search2016 · 2 citesFPScreen: A Rapid Similarity Search Tool for Massive Molecular Library Based on Molecular Fingerprint Comparison2019