GGP2107_DevTox
Predict mutagenicity, carcinogenecity, developmental toxicity, skin sensitization, fish acute toxicity, ALogP, Fathead Minnow, Daphnia Magna, BCF Model, Ready Biodegradability.
Input:
You could load 1 SDF file or multiple SDF files.
And choose which field or property to be considered.
2D SDF or if you want to merge multiple SDF files to 1 SDF you could use this node as a reader.
Models:
Users have the option to choose different models apart from the models mentioned under the nodes. 'Configure' one of the VEGA node and user could change the model to be predicted.
Output:
Save as CSV file - assign the output file/folder in 'CSV Writer' node and Interactive Table Viewer
Options:
You could consider MOL2, MOL or other chemical formats and update the I/O node accordingly.
www.nyroindia.org
Nodes
Extensions
- FeatureIndigo KNIME integration
- FeatureKNIME Base Chemistry Types & Nodes
- FeatureKNIME Base nodes
- FeatureSchrödinger Extensions for KNIME