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Çó¸÷λ°ïæ·Òë¹ØÓÚ3D solvatochromic modelµÄÒ»¶Î»°
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ÄÄλ´óÏÀ¿ÉÒÔ°ïСµÜ·ÒëÒ»ÏÂѽ ʵÔÚÊÇ¿´²»¶®ÁË In the present study, two 3D solvatochromic models were developed for the prediction of compound permeation and distribution through PAMPA-skin membrane using molecular descriptors calculated with Volsurf from five MIFs: the hydrophobic part of the molecular lipophilicity potential (MLPho), 15 the acceptor and donor molecular hydrogen-bonding potential (MHBPs),16 and the GRID ¡°DRY¡± and ¡°H2O¡± fields. ¸Ð¼¤²»¾¡£¡£¡£¡£¡ |
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supergreen(½ð±Ò+2, ·ÒëEPI+1):thank u~ 2010-11-19 22:51:43
ringzhu(½ð±Ò+5): 2010-12-04 10:32:27
supergreen(½ð±Ò+2, ·ÒëEPI+1):thank u~ 2010-11-19 22:51:43
ringzhu(½ð±Ò+5): 2010-12-04 10:32:27
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