This website allows you to predict the potential targets of small molecule against cancer.

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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.

原理与算例

靶点预测-ROCS解决方案: http://blog.molcalx.com.cn/2017/01/31/rocs-target-fishing.html