STOPLIGHT: A Hit Scoring Calculator

We
introduce STOPLIGHT, a web portal to assist medicinal chemists
in prioritizing hits from screening campaigns and the selection of
compounds for optimization. STOPLIGHT incorporates services to assess
6 physiochemical and structural properties, 6 assay liabilities, and
11 pharmacokinetic properties, for any small molecule represented
by its SMILES string. We briefly describe each service and illustrate
the utility of this portal with a case study. The STOPLIGHT portal
provides a user-friendly tool to guide hit selection in early drug
discovery campaigns, whereby compounds with unfavorable properties
can be quickly recognized and eliminated.