All items (18)
A
B
C
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Calculate TPSA
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Change stereochemistry of certain atoms in SMILES file
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Convert a SMILES string to canonical SMILES
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Convert SMILES file to SD file
D
F
H
P
R
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Report how many SD file records are within a certain molecular weight range
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Report the similarity between two structures
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Ring counts in a SMILES file
U
W
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