13321_2017_225_MOESM1_ESM.txt (24.42 kB)

MOESM1 of An algorithm to identify functional groups in organic molecules

Name: MOESM1 of An algorithm to identify functional groups in organic molecules
Published: 2017-06-07T05:00:00+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: Functional group, Chemical functionality, Organic chemistry, Medicinal chemistry

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posted on 2017-06-07, 05:00 authored by Peter Ertl

Additional file 1. List of 768 functional group with their frequencies in pseudo-SMILES notation.

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Functional group Chemical functionality Organic chemistry Medicinal chemistry

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CC BY + CC0

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