Mercurial > repos > recetox > retip_train

annotate test-data/pubchem-bad.tsv @ 8:e7771b3d6a40 draft default tip

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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/retip commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
author recetox
date Fri, 28 Jan 2022 16:29:45 +0000
parents fc3e026406c5
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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fc3e026406c5 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/retip commit 66741485c24076df17e4a87bdaa53ec04d1c8792"
recetox
parents:
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1 X1 recetox_cid molecular_formula qsar_smiles
fc3e026406c5 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/retip commit 66741485c24076df17e4a87bdaa53ec04d1c8792"
recetox
parents:
diff changeset
2 42 13502 InChI=1S/C6H16NO/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3/q+1 OCCC[N](C)(C)C