Help
Input – Sequences
Paste your SMILES strings using the FASTA format such as:
>TEST0
O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
>TEST1
CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21
where TEST0 and TEST1 are IDs. If the number of compounds is large, you can upload them in a file (in a FASTA-like format) by selecting the “Upload” checkbox. Uploaded data files are limited to 1 MB.
Input – Prediction for Types of Toxicological Endpoints
Select the prediction for types of toxicological endpoint that you are interested to predict:
NR-AR
NR-AhR
NR-ER
NR-PPAR-gamma
SR-ATAD5
SR-MMP
NR-AR-LBD
NR-Aromatase
NR-ER-LBD
SR-ARE
SR-HSE
SR-p53
Input – Job Description (Optional)
A short description can be supplied together with a job submission. The description will be displayed in your job list.
Input – Create Account (Necessary)
If you provide an email to your submitted job, you can easily retrieve all your past job results by giving your email. Note that we will not send you any emails about your job run.
Input – Submit
Click the submit button when ready. A job ID will be given to your submitted job; a status page will be displayed with automatically refreshing function to check for the running status of your job. As soon as the run is finished, the result will be displayed in the same window. Please bookmark the status page before leaving the window, so that you can check back the result later. Or if you have provided an email during job submission, you can enter your email at the Input page to login and retrieve all your past job results.
Result
The prediction result of all submitted compounds will be displayed in a single page. All columns can be sorted as user’s need, and all results are downloadable in a CSV file.
Contact
If you have further questions, please contact:
Developer:
- Jiarui Chen
chen709847237@gmail.com
- Edison Un (web developer)
chonwaiun@gmail.com
PI:
- Shirley W. I. Siu
siuwengin@gmail.com