Singh, A. QSAR for the organophosphate-induced inhibition and ‘aging’ of the enzyme neuropathy target esterase (NTE). SAR QSAR Environ. Res. 2001, 12, 275-295.
Compound
| ID: | PSP | |
|---|---|---|
| Name: | phenyl saligenin phosphate | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C13H12O2.H3O4P/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12;1-5(2,3)4/h1-9,14H,10H2;(H3,1,2,3,4) |
Properties
ratioI50NTE_I50AChE: Ratio of (log10I50NTE/log10I50AChE)
| Value | Source or prediction |
|---|---|
| -0.41 |
experimental value |
| -0.7116 |
Eq.6: Inhibition of NTE and AChE by organophosphates (Training set) |