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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:
Catalyzes RNA-tempate-directed extension of the 3'-end of an RNA one by one nucleotide at a time.
Can initiate a chain de novo.
See also EC 2.7.7.6
Part 1 Data Collection
chembl_websource_client Python library/ Jyupyter Notebook 🔓
Bioactivity data
Curated Bioactivity Data :star:
Part 2 EDA
Clean SMILES notation
Export as CSV file
PART 3 Descriptor Calculator
we linked/mounted the GD to store the big data file
remove small organic compounds
remove salt
calculate Lipinkski's descriptors
Perform EDA
Box Plot
MW
LogP
No. H bond donor
No. H bond acceptor
Scattered Plot
Statistical Analysis
Exported the preprocessed df to CSV
We exported raw data to CSV file
SARS-CoV-2 Drug Discovery