ChemDes

An integrated web-based platform for molecular descriptor and fingerprint computation

Use SMILES to calculate molecular descriptors

Select 2D Descriptors:

Input your SMILES:
Example Draw

View your molecule Submit and calculation

Select 3D Descriptors:
Select Method:

Input your SMILES:
Example Draw

View your molecule Submit and calculation

Select Molecular fingerprints Descriptors:

Input your SMILES:
Example Draw

View your molecule Submit and calculation

Upload file (Formats: .smi, .sdf)

Select 2D Descriptors:

Example View your molecule Submit and continue

Select 3D Descriptors:
Select Method:

Example View your molecule Submit and continue

Select Molecular fingerprints Descriptors:

Example View your molecule Submit and continue

Visits since Mar 3, 2015

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School of Pharmaceutical Sciences, Central South University. All rights reserved.
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ChemDes by CBDD Group, CSU, China. is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License. E-mail: biomed@csu.edu.cn

Use SMILES to calculate molecular descriptors

Upload file (Formats: *.smi, *.sdf)

Upload file (Formats: .smi, .sdf)