OCHEM predictor
OCHEM Predictor
Predict a number of supported properties/activities for your chemical compounds
What would you like to predict?
T. pyriformis model
Browse the full list of public models
Select the compounds to be predicted
Upload compounds from a file
SDF, MOL2, SMILES or an Excel sheet
Draw Molecule
click on depiction to the right to draw
[molecule profile]
Name/CASRN/SMILES:
e.g., "CC=CCC" or "Aspirine"
load structure
Choose a previously prepared set:
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Select molecules by a tag:
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Disable prediction cache (predictions but not descriptors will be recalculated)
Force recalculation of descriptors in cache
Template name: model/predictor