Property distribution of drug-related chemical databases

  title={Property distribution of drug-related chemical databases},
  author={Tudor I. Oprea},
  journal={Journal of computer-aided molecular design},
  volume={14 3},
The process of compound selection and prioritization is crucial for both combinatorial chemistry (CBC) and high throughput screening (HTS). Compound libraries have to be screened for unwanted chemical structures, as well as for unwanted chemical properties. Property extrema can be eliminated by using property filters, in accordance with their actual distribution. Property distribution was examined in the following compound databases: MACCS-II Drug Data Report (MDDR), Current Patents Fast-alert… CONTINUE READING