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SMILES:
c1cc2ccc3cccnc3c2nc1

Aroma Description:

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR1A1 -3.9 1 -1.6667 1   
 

SMILES:
c1cc2ccc3cccnc3c2nc1

Aroma Description:

Receptor Dock Score Affinity A100 Correlated Perceptual Qualities

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).

1.) Jabeen A, de March CA, Matsunami H, Ranganathan S. Machine Learning Assisted Approach for Finding Novel High Activity Agonists of Human Ectopic Olfactory Receptors. International Journal of Molecular Sciences. 2021; 22(21):11546. https://doi.org/10.3390/ijms222111546