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Archbishop Ussher's guide to efficient selection of development candidates

Molecular Design

Recent drugs, approved in 2010−2020, display no overall differences in molecular weight, lipophilicity, hydrogen bonding, or polar surface area from their target comparator compounds. Drugs are differentiated from target comparators by higher potency, ligand efficiency (LE), lipophilic ligand efficiency (LLE), and lower carboaromaticity.

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Variability in biological activity measurements reported in the drug discovery literature

Molecular Design

Different assay organism or cell types: the target protein may be recombinantly expressed in different cell types (the target ID in ChEMBL is assigned based on the original source of the target), or the assays may be run using different cell types.