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Target protein search/Single Protein/Replicase polyprotein 1ab/ SARS-CoV-2…
Target protein search/Single Protein/Replicase polyprotein 1ab/ SARS-CoV-2 function:
Part 1 Data Collection
chembl_webresource_client Python Library/ Jupyter Notebook :unlock:
Chembl Database (search was done based on the IC50 values in the nM)
Bioactivity Data
Pre-process Bioactivity data Drop missing data/drop Duplicate data/Label compounds according to bioactivity threshold
Curated Bioactivity data :star:
Part 2 EDA
Clean SMILES notation
remove small organic compounds
remove salt
Export as CSV file
Part 3 Descriptor calculation
we linked/mounted the GD to store the big data file
calculate Lipinkski's descriptors
MW
1 more item...
Perform EDA
1 more item...
Catalyzes RNA-template-directed extension of the 3'-end of an RNA strand by one nucleotide at a time.
Can initiate a chain de novo.
See also EC 2.7.7.6
We exported raw data to CSV file
Export the preprocessed df to CVS
SARS-CoV-2 Drug Discovery