Molecule Fragment Calculation
Molecule Fragment Calculation
Molecule Fragmentt calculation:
Here, you can input a molecule smiles string,then the molecular fragment results will be calculated.
Enter molecules
Molecule Smiles:
Molecule input (via JME)
(Example) Try COC(=O)[C@H]1C(=O)c2c3=C1C1=NC(=Cc4[nH]c(C=C5N=C(C=c([nH]3)c2C)C(=C5C)CC)c(C=C)c4C)[C@@H](C)[C@@H]1CCC(=O)O as input
RxnFinder
ECAssigner
RxnIP
Hu Lab
College of Pharmacy
Wuhan University