Background Histone deacetylase (HDAC) is a novel target for the treatment of cancer and it
can be classified into three classes, ie, classes I, II, and IV. The inhibitors selectively
targeting individual HDAC have been proved to be the better candidate antitumor drugs. To
screen selective HDAC inhibitors, several proteochemometric (PCM) models based on
different combinations of three kinds of protein descriptors, two kinds of ligand descriptors
and multiplication cross-terms were constructed in our study. Results The results show that …

Background: Histone deacetylase (HDAC) is a novel target for the treatment of cancer and it
can be classified into three classes, ie, classes I, II, and IV. The inhibitors selectively
targeting individual HDAC have been proved to be the better candidate antitumor drugs. To
screen selective HDAC inhibitors, several proteochemometric (PCM) models based on
different combinations of three kinds of protein descriptors, two kinds of ligand descriptors
and multiplication cross-terms were constructed in our study. Results: The results show that …