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alwens

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[资源] Xlogp3发布，国产软件一定要支持：）

Xlogp，做药物设计的虫子一定不会陌生，基本与ClogP，AlogP齐名的脂水分配系数预测程序，而且由于其学术免费的特性应用非常广泛。
最重要的是这是国内自主开发的程序，不得不支持！
这里替王老师做个广告：）

现在新版本Xlogp3发布，新算法中添加了基于数据库预测方法（提问结构对现有数据库的化合物先进行相似性搜索，然后根据最近邻点法进行预测）。结果显示比早期版本有较大改进。
详细文献请参见：
Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge. J. Chem. Inf. Model., 47 (6), 2140 -2148, 2007

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We announce the release of the latest version of the XLOGP program, namely XLOGP3. XLOGP3 computes octanol/water partition coefficients (logP) of organic compounds by combining the powers of an additive model and a similarity-based strategy (J. Chem. Inf. Model. 2007, 47, 2140-2148). It demonstrates much improved accuracy over its previous versions, and is at least comparable to other successful logP methods in our tests.

XLOGP3 is available for free to download for academic and governmental users. We provide pre-compiled executable codes for UNIX/LINUX and Windows platforms. On-line computing by XLOGP3 is provided to all users at http://www.sioc-ccbg.ac.cn/software/xlogp3/. A discussion forum for XLOGP3 is provided at http://www.sioc-ccbg.ac.cn/forum/. We welcome any feedback from you!
http://www.sioc-ccbg.ac.cn/forum/license-xlogp3.php

[ Last edited by alwens on 2008-1-7 at 18:41 ]

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