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系统介绍: 有机化合物电离常数在线预测系统(CISOC-WEBpKa)可用于化合物电离常数的预测。使用者可以利用本系统,预测已知结构化合物的电离常数。该系统可应用于农药设计、药物设计、环境保护和食品安全等领域。
The acid-base ionization/dissociation constant, pKa, is a measure of the strength of an acid. CISOC-WEBpKa can be used to predict pKa of a compound based on its chemical structure. It can be applied in pesticide design, drug design, environment protection and food safety.

 

 


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* If you want to get full access to the Prediction System of pKa, please contact with Lab of Computer Chemistry and Cheminformatics, Shanghai Institute of Organic Chemistry, CAS. Tel:(86)(21)54925266 Fax:(86)(21)54925264