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