Index-Calcnet-AlzheimerNet

Use SMILES to net the targets

SMILES:

Example Draw

Fingerprint types:

FP2 fingerprints Daylight fingerprints MACCS fingerprints

ECFP2 fingerprints ECFP4 fingerprints ECFP6 fingerprints

Upload file (Formats: *.smi)

Upload your file:

Example

Fingerprint types:

FP2 fingerprints Daylight fingerprints MACCS fingerprints

ECFP2 fingerprints ECFP4 fingerprints ECFP6 fingerprints

Notes

Usage: Click here for help when you meet a problem.
Batch computing limit : 5,000 molecules at one time.
When using AlzheimerNet please cite :
1. Cao, D.-S., et al., PyDPI: freely available Python package for chemoinformatics, bioinformatics, and chemogenomics studies. Journal of chemical information and modeling, 2013. 53(11): p. 3086-3096.
2. Cao, D.-S., et al., ChemoPy: freely available python package for computational biology and chemoinformatics. Bioinformatics, 2013: p. btt105.
3. Cao, D.-S., et al., In silico toxicity prediction of chemicals from EPA toxicity database by kernel fusion-based support vector machines. Chemometrics and Intelligent Laboratory Systems, 2015. 146: p. 494-502.