About
Tutorial
Xundrug |
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welcome
Welcome to In silico Bioisosteric Replacement System
Run example
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Disclaimer
No molecule information will be retained on the system.
Step 1: Please provide a molecule (SMILES format preferred)
Description
Provide a molecule (SMILES, IUPAC/Commercial Name, CAS Number or InChI Key):
Example: CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O
Step 2: Please select bioisosteric replacement method
Description
Replace method
Rules From Data Mining
Similarity Comparision
Rules From Data Mining (fast)
AI Generative Model
