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. 2010 Oct 15;11(Suppl 7):S15. doi: 10.1186/1471-2105-11-S7-S15

Table 2.

Summary of the descriptors that were found to be useful in decision making in the RP model

Descriptor Illustration
S_ssCH2 Sum descriptor for carbon with two single bonds.
Hbond Acceptor Number of hydrogen bond acceptor
ADMET_CYP2D6_PROB Prediction of CYP2D6 inhibition.
Area Molecular surface area.
Dipole-mag The strength and orientation behaviour of a molecule in an electrostatic field.
Hbond donor Number of hydrogen bond donor
S_aaN Sum descriptor for nitrogen with two aromatic bonds.