SMILES-18 dataset
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下载链接：
https://zenodo.org/record/7978076
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资源简介：
Dataset of organic molecules encoded as SMILES strings with 18,322,500 records collected from the Pubchem database.
List of characters included in the dataset:
Description
SMILES Characters
Atoms
"C", "O", "N", "P", "S", "F", "Cl", "Br", "I", "Si", "B"
Branches
"(", ")"
Rings
"1", "2", "3", "4", "5", "6", "7", "8", "9"
Bonds
"=", "#"
Ions
"+", "-"
Stereochemistry
"/", "\"
Miscellaneous
"[", "]"
创建时间：
2023-05-31
