International Scholarly Research Notices / 2013 / Article / Tab 2 / Research Article
2D-QSAR, Docking Studies, and In Silico ADMET Prediction of Polyphenolic Acetates as Substrates for Protein Acetyltransferase Function of
Glutamine Synthetase of Mycobacterium tuberculosis Table 2 ADMET descriptors and their rules/keys.
ADMET absorption level (human intestinal absorption) Level Description 0 Good absorption 1 Moderate absorption 2 Low absorption 3 Very low absorption
ADMET aqueous solubility level Level Value Description 0 log (molar solubility) < −8.0 Extremely low 1 −8.0 < log (molar solubility) < −6.0 No, very low, but possible 2 −6.0 < log (molar solubility) < −4.0 Yes, low 3 −4.0 < log (molar solubility) < −2.0 Yes, good 4 −2.0 < log (molar solubility) < 0.0 Yes, optimal 5 0.0 < log (molar solubility) No, too soluble 6 −1000 Warning: molecules with one or more unknown AlogP98 types ADMET (blood brain barrier penetration level) BBB Level Description 0 Very High 1 High 2 Medium 3 Low 4 Undefined 5 Warning: molecules with one or more unknown AlogP calculation ADMET CYP2D6 Predicted class Value 0 Noninhibitor 1 Inhibitor ADMET hepatotoxicity Predicted class Value 0 Nontoxic 1 Toxic
ADMET (plasma protein binding level) PPB Level Description 0 Binding is <90% 1 Binding is ≥90% 2 Binding is ≥95%
