Table 2 Summary of the descriptors that were found to be useful in decision making in the RP model
From: IKKβ inhibitor identification: a multi-filter driven novel scaffold
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. |