Toxicity Filtering Toxicophores

• Step 1.
Please, Upload files* in either ".sdf", or ".mol" format.

*Warning:
‒ Uploaded filename should not contain special characters ^ ()_
‒ Files are temporary saved on the server and deleted after processing.
‒ Maximum allowed upload size is 100MB .

Custom List of Organic Toxic Compounds
1. N#N dinitrogen
2. C(=O)F formyl fluoride-Michael acceptor
3. C(=O)Cl formyl chloride-Michael acceptor
4. C(=O)Br formyl bromide-Michael acceptor
5. O1CC1 oxirane
6. C/N=N/C diazene
7. c1ccc2c(c1)cc1c(c2)cccc1 anthracene
8. C1=CC(=O)C=CC1=O quinone
9. c1cc(ccc1O)O hydroquinone
10. C=CC(=O)C butenone--Michael acceptor
11. CCOOCC O-O heteroatom
12. CCNNCC hydrazine-N-N heteroatom
13. CCNOCC N-O heteroatom
14. C=CCl chloroethane--Michael acceptor
15. C=CF fuoroethane-Michael acceptor
16. C=CBr bromoethane-Michael acceptor
17. C=CC#N acrylonitrile-Michael acceptor
18. C=C[N+](=O)[O-] nitroethene-Michael acceptor
19. CCSSCC disulfane-S-S heteroatom
20. c1ccc2c(c1)OCO2 benzo-dioxane
21. N(C(=S)NC)C thiourea
22. c1(c(ccs1)C(=O)C)N 2-amino-3-carbonyl thiophene
23. c1cc(c(cc1)O)O catechol
24. s1c(ncc1)N aminothiazole
25. S1C(=S)NC(=O)C1 rhodanine

• Final Step.

Processing Data...
loading..
Please wait few minutes,
Do not Press Refresh or Any Other Button,
Results will be displayed automatically.

*After the next successful execution your downloadable file links will be:

1. Results in txt form: http://chembioserver.vi-seem.eu/upload/54fnAShboR_Toxicity_Results.txt

2. Compounds that pass the toxic test: http://chembioserver.vi-seem.eu/upload/54fnAShboR_tox_pass.sdf

*Results are stored for a week.


Launched on Dec 30th, 2011 Updated on Sep 27th, 2019