On 2015 Sep 11, Chanin Nantasenamat commented:

Thanks Christopher for the reminder. Actually, we also wanted to make the dataset publicly available. Thus, please find the dataset used in this study (in Excel file format) from the following link:

http://dx.doi.org/10.6084/m9.figshare.1539580

On 2015 Sep 05, Christopher Southan commented:

This is a usefuly detailed study but direct availability of the 2,937 structures should have been a condition of publication. I note they were selected from BindingDB but also filtered post-download (and will change via updates). The authors should thus please surface at least the SMILES on figshare or other open acess option (Sep 14th - good 2 c the file :)

On 2015 Sep 05, Christopher Southan commented:

This is a usefuly detailed study but direct availability of the 2,937 structures should have been a condition of publication. I note they were selected from BindingDB but also filtered post-download (and will change via updates). The authors should thus please surface at least the SMILES on figshare or other open acess option (Sep 14th - good 2 c the file :)

On 2015 Sep 11, Chanin Nantasenamat commented:

Thanks Christopher for the reminder. Actually, we also wanted to make the dataset publicly available. Thus, please find the dataset used in this study (in Excel file format) from the following link:

http://dx.doi.org/10.6084/m9.figshare.1539580