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CBDD Group
Chemical-Chemical Features Calculator
Step 1: Calculate chemical features
Upload file (Formats: *.txt, *.TXT)
Upload your file:
Example
Select chemical features:
Constitution(30)
Topology(35)
Connectivity(44)
Kappa(7)
EState(237)
Autocorrelation-moran(32)
Autocorrelation-geary(32)
Autocorrelation-broto(32)
Molecular properties(6)
Charge(25)
Moe-Type descriptors(60)
Note:
Usage
: Click
here
for help when you meet a problem.
Batch computing limit
:
5000 molecules at one time
. If there are some very big molecules, please reduce the number in response to the situation.