Tabel 4: Structural criteria for the characterization of the binding potency of chemicals according to ER-profiler of the OECD (Q)SAR Application Toolbox.


Prediction Criteria

Very strong binder Chemicals with two non-impaired OH groups attached to two different five or six carbon-atom rings and a MW between 200 and 500 Da.
Strong binder Chemicals with a non-impaired OH or NH2 group attached to five or six carbon-atom ring and a MW between 200 and 500 Da.
Moderate binder Chemicals with an unhindered OH or NH2 group (one in the para- or meta- position of the ring) attached to a single five or six carbon-atom ring and a MW between 170 and 200 Da.
Weak binder Chemicals with a non-impaired OH or NH2 group attached to a five or six carbon-atom ring and a MW<170 Da.
Non binder Chemicals that do not follow the above mentioned criteria: with a MW≤ 500 Da and five or six carbon-atom ring structure but with impaired or lacking OH or NH2 groups; with a MW≤ 500 Da but that do not present cyclic structures; with a MW> 500 Da regardless of structure and shape.