Emerging big data in medicinal chemistry [Elektronisk resurs] promiscuity analysis as an example / Jürgen Bajorath and Ye Hu.

• Contents: Big data criteria in medicinal chemistry -- Data at varying confidence levels -- Promiscuity and polypharmacology -- Compound promiscuity analysis in light of big data criteria -- Promiscuity of screening hits -- Promiscuity across major target families -- Promiscuity of kinase inhibitors.

Ämnesord

Big data.  (LCSH)

Cheminformatics.  (LCSH)

Pharmaceutical chemistry.  (LCSH)

Pharmacy informatics.  (LCSH)

Drug development  -- Data processing. (LCSH)

Databases, Factual.  (MeSH)

Pharmaceutical Preparations.  (MeSH)

Polypharmacology.  (MeSH)

Chemistry, Pharmaceutical  -- methods. (MeSH)

Computational Biology  -- methods. (MeSH)

Drug Discovery  -- methods. (MeSH)