Module III

ADMET Properties

Assignment

Predict ADMET Properties using ADMETSAR

STEP 1: Select 15 leads for covid 19 from pubchem database

and copy their smiles

STEP 2 : Click the following link to go to the ADMET prediction

website ADMETSAR http://lmmd.ecust.edu.cn/admetsar1/predict/ From pubchem website

STEP 3: Paste the smiles provided in input space

STEP 4: Analyse the results

STEP 5: Report the selected leads with ADMET properties

REFERENCE: https://pubs.acs.org/doi/abs/10.1021/ci100104j

(For detailed information of the ADMET properties)


PREDICT DRUGLIKENESS

STEP 1:  Select 15 lead compounds from Pubchem database and copy smiles

STEP 2: Click https://www.molinspiration.com/cgi-bin/properties

STEP 3: Input smiles and predict molecular properties

STEP 4: Analyse the result

STEP 5: Report the selected leads with druglikeness

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