RNAi in PubChem

While considering ways to disseminate RNAi screening data, I found out that PubChem now contains two RNAi screening datasets – AIDs 1622 and 1904. These screens reuse the PubChem bioaassay formats – which is both good and bad. For example, while there are a few standardized columns (such as PUBCHEM_ACTIVITY_SCORE), the bulk of the user […]

What Has Cheminformatics Done for You Lately?

Recently there have been two papers asking whether cheminformatics or virtual screening in general, have really helped drug discovery, in terms of lead discovery. The first paper from Muchmore et al focuses on the utility of various cheminformatics tools in drug discovery. ┬áTheir report is retrospective in nature where they note that while much research […]