ProtoED is a computational tool for predicting the agonist and antagonist activity of chemical compounds on various receptors using proprietary QSAR models.



QSAR models in ProtoED

Androgen receptor (AR)

Agonism

Antagonism

Estrogen receptor alpha (ERα)

Agonism

Antagonism

Estrogen receptor beta (ERβ)

Agonism

Antagonism

Glucocorticoid receptor (GR)

Agonism

Antagonism

Thyroid receptor alpha (TRα)

Agonism

Antagonism

Thyroid receptor beta (TRβ)

Agonism

Antagonism

Thyroid-stimulating hormone receptor (TSHR)

Agonism

Antagonism



ProtoED is a module designed to predict whether a compound will act as an agonist or antagonist on various hormonal receptors, facilitating the assessment of the compound’s potential to disrupt the endocrine system.

By employing QSAR models, ProtoED offers an efficient alternative to experimental assays by enabling rapid and accurate predictions of compound-receptor interactions, serving as a valuable tool in chemical and pharmacological research.

This module promotes the use of alternative methods, helping to reduce the need for in vivo testing and supporting decision-making processes regarding potential risks to human health and the environment.


Verify whether the molecules fall within the applicability domain (AD) of the models.
This operation does not consume any tokens.



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