GitHub - sorui-qin/ARA2B_antagonists_molecular_library: Cheminformatics achieved SMILES-based fragments filter, scaffold-fragments linkers & molecules filter for construction of the molecular library of Adenosine Receptor(AR) A2b antagonists.

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Cheminformatics achieved SMILES-based fragments filter, scaffold-fragments linkers & molecules filter for construction of the molecular library of Adenosine Receptor(AR) A2b antagonists.

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Name		Name	Last commit message	Last commit date
Latest commit History 13 Commits
__pycache__		__pycache__
druglikeness		druglikeness
fragments_generate		fragments_generate
molecules_filters		molecules_filters
__init__.py		__init__.py
chem.py		chem.py
chemBL_L8800_filted.txt		chemBL_L8800_filted.txt
dual_join_lipinski.py		dual_join_lipinski.py
filter.py		filter.py
join_in_jupyter.ipynb		join_in_jupyter.ipynb
join_in_single.py		join_in_single.py
join_prototype.py		join_prototype.py
join_respective.py		join_respective.py
scaffold.py		scaffold.py

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Cheminformatics achieved SMILES-based fragments filter, scaffold-fragments linkers & molecules filter for construction of the molecular library of Adenosine Receptor(AR) A2b antagonists.

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