a*y 发帖数: 119 | 1 如果已知一个分子的化学结构,有些什么软件可以用于预测分子的物化性质,比如水溶
性,pKa, 等等?以前听说过PhysChem,不曾用过,对非化学专业出身的人来讲会不会比
较难上手?
有没有什么一些免费的软件可以粗略的预测一下分子的物化性质呢?多谢指教!BOW | m******8 发帖数: 123 | 2 There are many computational tools to predict the physiochemical properties.
All of this type of package has GUI, so it's pretty easy to use for average
user.
http://www.chemaxon.com/ should work for you.And ADME predictor from Simulation plus also has 30 days free trial version.
【在 a*y 的大作中提到】![](/moin_static193/solenoid/img/up.png) : 如果已知一个分子的化学结构,有些什么软件可以用于预测分子的物化性质,比如水溶 : 性,pKa, 等等?以前听说过PhysChem,不曾用过,对非化学专业出身的人来讲会不会比 : 较难上手? : 有没有什么一些免费的软件可以粗略的预测一下分子的物化性质呢?多谢指教!BOW
| a*y 发帖数: 119 | 3 Thank you so much!
properties.
average
【在 m******8 的大作中提到】![](/moin_static193/solenoid/img/up.png) : There are many computational tools to predict the physiochemical properties. : All of this type of package has GUI, so it's pretty easy to use for average : user. : http://www.chemaxon.com/ should work for you.And ADME predictor from Simulation plus also has 30 days free trial version.
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