Table 1.

The D(A) values of compounds in several data sets.

Data Sets	Number of Compounds	D(A) Values
The whole data set in this work	1457	0.4716
The training set in this work	971	0.4824
The testing set in this work	486	0.4494
The external validation set in recent literature [29]	55	0.0936
Molecules picked out by virtual screening with RF scores greater than 0.7 in this work	67	0.1281
The HDAC_Library in the Maybridge database	4107	0.1550
The whole data set in our previous work [30]	283	0.3537