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

• Main Authors: Kittiwachana S., Wangkarn S., Grudpan K., Brereton R.G.
• Format: Article
• Language: English
• Published: 2014
• Online Access: http://www.scopus.com/inward/record.url?eid=2-s2.0-84873332435&partnerID=40&md5=c8e2b3cf2916bb204da741b126a022c7; http://cmuir.cmu.ac.th/handle/6653943832/7001
• Institution: Chiang Mai University

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...