NR-Predictor

Prediction Service

Input molecules via SMILES string, CSV file, or molecular drawing. Configure options, then run the prediction pipeline.

Today's Usage Status ()
Single Predictions
0/50 (50 remaining)
CSV Files
0/3 (3 remaining)
Max 20 SMILES per CSV file. Usage resets at Tomorrow 00:00.
Molecule Input
Enter a SMILES string or draw a molecule
CC(=O)Oc1ccccc1C(=O)O
Molecular Drawing (JSME)
Loading JSME editor...

Click or drag CSV file here

First row skipped as header, SMILES in first column

Prediction Options
NR Target Selection
Functional prediction runs only on selected binder-active targets.
0 / 10 selected
NR Target List Expand to select
Advanced settings
Model select
Running...
1
Binder Screen
2
Function
3
Attention
Step 1 — Binder Screening (0 Selected NR Targets)
Ensemble: GIN+ESM2 + XGB-RDKit + XGB-ECFP attention stacking

Configure input on the left and click Run Prediction