✍ Scribed by Chris L. Waller; Booker W. Juma; L.Earl Gray; Jr.; William R. Kelce
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Without a crystallized structure for a human cytochrome P450, the use of computational molecular modeling is one approach to examine the active site requirements of substrate and inhibitor specificity. CYP2D6 is undoubtedly the most studied polymorphic human CYP and it is therefore desirable for dru
In an earlier article' the need was demonstrated for atomic physicochemical properties for three dimensional structure directed quantitative structure-activity relationships, and it was shown how atomic parameters can be developed for successfully evaluating the molecular octanol-water partition coe
## Abstract A new drug design method, the multiple field three‐dimensional quantitative structure–activity relationship (MF‐3D‐QSAR), is proposed. It is a combination and development of classical 2D‐QSAR and traditional 3D‐QSAR. In addition to the electrostatic and van der Waals potentials, more po