HIGHLIGHTS
SUMMARY
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ACRONYMS
LAY DEFINITIONS
- molecular docking: A computer simulation technique that is used to model the interaction between two molecules. Typically the docking simulation measures the interactions of a small molecule or ligand with a part of a larger molecule such as a protein
- QSAR: A quantitative prediction of the biological, ecotoxicological or pharmaceutical activity of a molecule. It is based upon structure and activity information gathered from a series of similar compounds
- Design: Design is the creation of a plan or convention for the . . .
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