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README.md

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# logD<sub>7.4</sub> of 1,130 Compounds
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# logD<sub>7.4</sub> of 1,130 Compounds <img src="logo.png" align="right" alt="logo" height="180" width="180" />
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This repository archives a high-quality human-curated [lipophilicity dataset](logd74.tsv) that includes the chemical structure (SMILES) of 1,130 organic compounds and their _n_-octanol/buffer solution distribution coefficients at pH 7.4 (logD<sub>7.4</sub>), originally curated by [our paper](http://onlinelibrary.wiley.com/doi/10.1002/cem.2718/full) ([PDF](https://nanx.me/papers/logd.pdf)).
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This repository archives a high-quality hand-curated [lipophilicity dataset](logd74.tsv) that includes the chemical structure (SMILES) of 1,130 organic compounds and their _n_-octanol/buffer solution distribution coefficients at pH 7.4 (logD<sub>7.4</sub>), originally curated by [our paper](http://onlinelibrary.wiley.com/doi/10.1002/cem.2718/full) ([PDF](https://nanx.me/papers/logd.pdf)).
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As a key determinant of several ADME properties, lipophilicity (logD<sub>7.4</sub>) is a key physical property in the development of small molecule oral drugs. This dataset can be applied for method benchmarking in cheminformatics and chemometrics research.
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## About logD<sub>7.4</sub>
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As a determinant of several ADME properties, lipophilicity (logD<sub>7.4</sub>) is a key physical property in the development of small molecule oral drugs. This dataset can be applied for method benchmarking in regression modeling, cheminformatics, and chemometrics research.
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## Paper Citation
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