Tutorial:
Step 1: Draw a compound or put a SMILES code to text area.
Step 2: Complete the form
Step 3: click button SUBMIT
Step 4: As long as the prediction job is finished, the result will be sent to your email. Just click the link in the email.
How to cite it:
[1]AbdulHameed, M. D. M.; Chaudhury, S.; Singh, N.; Sun, H.; Wallqvist, A.; Tawa, G. J. Exploring Polypharmacology Using a ROCS-Based Target Fishing Approach. J Chem Info Model 2012, 52 (2), 492–505.
[2]Gaokeng Xiao. ROCS-Based Target Prediction. http://targetfishing.molcalx.com.cn
算例
靶点预测-ROCS解决方案: http://blog.molcalx.com.cn/2017/01/31/rocs-target-fishing.html