CardioDPi - SA detector：A Web-server for detection of structural alerts responsible for cardiotoxicity compounds

Abstract

Privileged substructures or Structural Alerts (SAs) typically refer to a set of standardized statements used within the chemical classification and labeling system to describe the hazardous nature of chemicals. These standardized Structural Alerts are employed to clearly convey to users the potential health, environmental, or physical hazards associated with chemicals. Additionally, we analyzed the structural features of compounds with cardiac toxicity and extracted Structural Alerts (SAs), which may be the underlying cause of ion channel blockade leading to cardiac toxicity.

Get-started

Step 1: Provide a string of SMILES format.

OR

Step 1: Upload a file of SMILES format.

Step 2: Insert the verifyCode and press the predict button.

Disclaimer

None of the molecule that being uploaded will be retained on the system.

Contact

Due to data privacy issues, the formula of structural alert will not be shown. If any collaboration needed, please contact the program instructor Dr. Li: x.li@sdu.edu.cn