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