NR-Toxpred : A Web Server for Predicting the Activity of Small Molecules on Nuclear Receptors

This page allows users to predict the Chemical activity against nuclear receptor. Users need to input the structure using the interface then select the prediction method and feature sets.

CAS ID :
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Choose Options :

Fingerprints
Morgan	MACCSKey
Model:
Binary	Multiclass
Algorithm:
SVM	SuperLearner

Receptor :

Applicability Domain options:
Scutoff:	nSimilar:

Scutoff (default=0.25): by (>=) which structures 'similar' to training set are identified; when the similarity is larger, the AD will be stricter.

nSimilar (default=1): Number of compounds that meet the Scutoff standard; when the number is larger, the AD will be stricter.