Vertex balanced dataset (protein ligand-binding sites)

Vertex balanced dataset. This dataset consists in 676 pairs of binding-sites<br> (338 similar pairs, 338 dissimilar pairs). The original Vertex dataset was describbed in (but is not downloadable from):<br> ---<br> Chen, Y. C., Tolbert, R., Aronov, A. M., McGaughey, G., Walters, W. P., &amp; Meireles, L. (2016).<br> Prediction of protein pairs sharing common active ligands using protein sequence,<br> structure, and ligand similarity.<br> Journal of chemical information and modeling, 56(9), 1734-1745.<br> https://doi.org/10.1021/acs.jcim.6b00118<br> --- Its balanced version was recently describbed in (but is not downloadable from):<br> ---<br> Eguida, M., &amp; Rognan, D. (2020).<br> A computer vision approach to align and compare protein cavities:<br> application to fragment-based drug design.<br> Journal of Medicinal Chemistry, 63(13), 7127-7142.<br> https://doi.org/10.1021/acs.jmedchem.0c00422<br> ---<br>