Computational tools


Databases

 

UniChem







ToxPrint   (Public set of chemotypes)



Databases management 

 

Pharmit (Interactive exploration of chemical space)


 

 

STOCK (Structure mapper and online coarse-graining kit)


 

 

 

 

MONA chemoinformatics

 


 

KNIME (Cleaning data)

 



Environmental Protection Agency (EPA)




Other

 

 

CTTV (Center for Therapeutic Target Validation)


 

TACC (Texas Advanced Computing Center)


 

 

ProBis (Protein binding site detector)

 



 

NVIDIA (Cancer research grants)