Skip to content

Commit

Permalink
add logo
Browse files Browse the repository at this point in the history
  • Loading branch information
nanxstats committed May 8, 2017
1 parent 6a57225 commit 9afe367
Show file tree
Hide file tree
Showing 2 changed files with 5 additions and 3 deletions.
8 changes: 5 additions & 3 deletions README.md
Original file line number Diff line number Diff line change
@@ -1,8 +1,10 @@
# logD<sub>7.4</sub> of 1,130 Compounds
# logD<sub>7.4</sub> of 1,130 Compounds <img src="logo.png" align="right" alt="logo" height="180" width="180" />

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)).
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)).

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.
## About logD<sub>7.4</sub>

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.

## Paper Citation

Expand Down
Binary file added logo.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.

0 comments on commit 9afe367

Please sign in to comment.