Multiple target drug cocktail design for attacking the core network markers of four cancers using ligand-based and structure-based virtual screening methods

Table 9 Top 10 pharmacophore descriptions

Hypothesis	Total cost	ΔCost	RMS	Correlation (r)	Features
1	211.414	33.787	0.583549	0.924995	HBA, HBA, HY, RA
2	211.745	33.456	0.599912	0.920410	HBA, HBA, HY, RA
3	212.295	32.906	0.606595	0.918758	HBA, HBA, HY, RA
4	212.530	32.671	0.609627	0.917975	HBA, HBA, HY, RA
5	213.564	31.637	0.641692	0.908625	HBA, HBA, HY, RA
6	213.870	31.331	0.651935	0.905497	HBA, HBA, HY, RA
7	214.412	30.789	0.669021	0.900153	HBA, HBA, HY, RA
8	215.039	30.162	0.690558	0.893115	HBA, HBA, HY, RA
9	215.282	29.919	0.694361	0.891929	HBA, HBA, HY, RA
10	215.758	29.443	0.713440	0.885327	HBA, HBA, HY, RA

* Null cost = 245.201; Fixed cost = 202.014; Configuration cost = 19.2545; ΔCost = Null cost - Total cost. All costs are in units of bits.
* HBA, hydrogen bond acceptor; HY, hydrophobic; RA, ring aromatic.

ISSN: 1755-8794