An example of a CoMFA study is described with the aim to discuss one of the major problems of this 3D QSAR method: lack of variable selection. It is shown that the use of nonrelevant energy parameters might produce CoMFA contour maps which poorly reflect the actual nature of the binding site and are
β¦ LIBER β¦
Effects of variable sampling on COMFA coefficient contour maps
β Scribed by G. Greco; E. Novellino; M. Pellecchia; C. Silipo; A. Vittoria
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 274 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0263-7855
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