ChemDes

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

Fragment/Fingerprint-based descriptors

1 FP2 (Topological fingerprint) A Daylight-like fingerprint based on hashing molecular subgraphs
2 MACCS (MACCS keys)Using the 166 public keys implemented as SMARTS
3 E-state 79 E-state fingerprints or fragments
4 FP4 307 FP4 fingerprints
5 Atom Paris Atom Paris fingerprints
6 Torsions Topological torsion fingerprints
7 Morgan/Circular Fingerprints based on the Morgan algorithm


Visits since Mar 3, 2015

Copyright @ 2012- Computational Biology & Drug Design Group,
School of Pharmaceutical Sciences, Central South University. All rights reserved.

The recommended browsers: Safari, Firefox, Chrome, IE(Ver. >8).
ChemDes by CBDD Group, CSU, China. is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.Creative Commons License    E-mail: biomed@csu.edu.cn