Prediction of liquid chromatographic retention behavior based on quantum chemical parameters using supervised self organizing maps

• المؤلفون الرئيسيون: Sila Kittiwachana, Sunanta Wangkarn, Kate Grudpan, Richard G. Brereton
• التنسيق: دورية
• منشور في: 2018
• الموضوعات: Chemistry
• الوصول للمادة أونلاين: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84873332435&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/52405

Self organizing maps (SOMs) in a supervised mode were applied for prediction of liquid chromatographic retention behavior of chemical compounds based on their quantum chemical information. The proposed algorithm was simple and required only a small alteration of the standard SOM algorithm. The appli...