PROMETHEUS
February 28, 2017
ToxWeight
January 31, 2017
A free tool for helping you in SAR/QSAR activities.

SARpy allows you to develop a model to classify chemicals according to a given property, such as carcinogenicity or fish toxicity

SARpy breaks the chemical structures of the compounds in the training set into fragments of a desired size, and it identifies fragments related to the target property. It then also shows the fragments related to the effect. Inhibiting conditions are identified which prevent the appearance of the effect, even in presence of the active fragment. The system uses SMILES in the canonical form. It allows choice in building more conservative or more accurate models.

 

SARpy is available on two versions:

Windows operating systems (windows XP/Vista/7/8/8.1/10) only or script version for all operating systems (Windows/Linux/MAC OSx)

 

Developed by

  • IRCCS istituto di Ricerche Farmacologiche Mario Negri Milano
  • Politecnico di Milano logo