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Three-Dimensional Quantitative Similarity−Activity Relationships (3D QSiAR) from SEAL Similarity Matrices

✍ Scribed by Kubinyi, Hugo; Hamprecht, Fred A.; Mietzner, Thomas


Book ID
121367933
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
217 KB
Volume
41
Category
Article
ISSN
0022-2623

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✍ Qi-Shi Du; Ri-Bo Huang; Yu-Tuo Wei; Li-Qin Du; Kuo-Chen Chou 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 385 KB

## 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