LogP calculations for 50k dataset #13
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What's the origin of these? Are these measured logPs based on looking up the SMILES? Or cLogP from rdkit? Something else? |
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Sorry, I should have specified. The LogP values were generated using ChemAxon's "generatemd" program from this repository's "smiles_50k.h5" file. |
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What would be really great is if you could alter the |
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I am curious about if it will be an issue to include data generated from ChemAxon. I mean any license issues. |
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LogP calculations for the 50k dataset. Same order as original SMILES file.