Comparative structural connectivity spec
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Richard D. Beger; Jon G. Wilkes
📂
Article
📅
2002
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John Wiley and Sons
🌐
English
⚖ 191 KB
## Abstract A method that combines NMR spectral and structural information into a constructed three‐dimensional (3D)‐connectivity matrix is developed for modeling biological binding activity of small molecules. The 3D‐connectivity matrix for a molecule is defined by associating the distances betwee