Skip to main content
Bulletin of the National Research Centre

Table 4 A description of the descriptor used in the model and the MF

From: Computer-aided identification of a series of novel ligands showing high potency as hepatitis C virus NS3/4A protease inhibitors

S/N Descriptor Description Class bj MF
1 ATSC5i Centered Broto-Moreau autocorrelation—lag 5/weighted by first ionization potential 2D − 0.002 0.032
2 SpMin3_Bhs Smallest absolute eigenvalue of Burden-modified matrix—n 3/weighted by the relative I-state 2D 47.197 1.592
3 SpMax3_Bhs Largest absolute eigenvalue of Burden-modified matrix—n 3/weighted by relative I-state 2D 23.739 1.594
4 MDEN33 Molecular distance edge between all tertiary nitrogens 2D 13.269 0.0273
5 piPC3 Conventional bond order ID number of order 3 (ln(1 + x) 2D − 23.437 − 2.246
Back to article page