SMILES:
n1c(C)cncc1
Aroma Description:
nutty, cocoa, roasted, chocolate, peanut, green, brown, nut_skin, musty, earthy1
SMILES:
n1c(C)cncc1
Aroma Description:
nutty, cocoa, roasted, chocolate, peanut, green, brown, nut_skin, musty, earthy
Receptor | Dock Score | Affinity | A100 | Correlated Perceptual Qualities |
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Dock Score: This is a measure of whether the algorithm thinks the odorant is an agonist of the receptor.
Affinity: The binding affinity, in kJ/mol, of the ligand docked in the active or inactive model, whichever is greater.
A100: A measure of the degree of activation of the receptor. See
Ibrahim et al (2019).