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