Table 3 Drug–target association metrics summarized in the Drug–Target Explorer database
From: Probing the chemical–biological relationship space with the Drug Target Explorer
Metric | Unit | Meaning |
|---|---|---|
Mean IC50/AC50/EC50/C50/Potency/Ki/Kd | nM | Mean of values obtained from quantitative datasets; available in database but not app |
Mean pChEMBL | − log10 (nM) | Mean − log10 (nM) of all semi-comparable quantitative values |
n_qualitative | Count | Number of qualitative associations identified |
n_quantitative | Count | Number of quantitative associations identified |
Known selectivity index | N/A | The mean pChEMBL for a drug–target association divided by the sum of all pChEMBLs for all drug–target associations for a given drug |
Confidence score | N/A | The z-score of the number of quantitative and qualitative interactions found for a drug–target association |