Computational QSAR model combined molecular descriptors and fingerprints to predict HDAC1 inhibitors

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Table 3

Substructural fragments of HDAC1 inhibitors obtained in MoSS.

	Support in focus (abs)^a	Support in complement (abs)^b	Support in focus (rel)^c	Support in complement (rel)^d
1	492	12	0.205	0.032

2	408	17	0.17	0.046

3	332	17	0.138	0.046

4	284	14	0.118	0.038

5	285	9	0.119	0.024

6	287	18	0.119	0.049

7	377	7	0.157	0.019

8	248	13	0.103	0.035

Number of fragment-containing chemicals in the inhibition class.

Number of the fragment-contained chemicals in the non-inhibition class.

Fraction of the fragment-contained chemicals in the inhibition class.

Fraction of the fragment-contained chemicals in the non-inhibition class.

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