Čes. slov. farm. 2010, 59(5):205-209
Studies of local anaesthetics. Part 191 - Utilization of artificial neural networks in the study of correlations between the calculated and measured values of retention factors k in various separation systems in the group of basic esters of alkoxy-substituted phenylcarbamic acid
- 1 Univerzita sv. Cyrila a Metoda v Trnave, Fakulta prírodných vied, Katedra chémie
- 2 Slovenská technická univerzita v Bratislave, Fakulta chemickej a potravinárskej technológie, Ústav analytickej chémie
- 3 Univerzita Komenského v Bratislave, Farmaceutická fakulta, Katedra farmaceutickej chémie
Artificial neural networks (ANN) were utilized to predict the HPLC retention factor k of a group of basic esters of alkoxyphenyl-substituted phenylcarbamic acid. Very good results were obtained in the prediction of three investigated systems: phenyl column, acetonitrile/water mobile phase (retention factor kPhAc), phenyl column, methanol/water mobile phase (retention factor kPhMe), and C18 column, acetonitrile/water mobile phase (retention factor kC18Ac), which are expressed by the dependences of the retention factor predicted vs. the retention factor experimentally measured. The intercepts and the slopes of the obtained dependences were close to 0 and 1, respectively. The results for the system C18 column, methanol/water mobile phase were not sufficiently suitable for the k prediction.
Keywords: local anaesthetics; prediction of HPLC retention factor; artificial neural networks
Grants and funding:
Autori ďakujú za podporu grantov VEGA (projekty 1/1005/09 a 1/1066/09), ako aj diplomantke S. Prachovej za pomoc pri výpočtoch.
Received: August 2, 2010; Accepted: September 10, 2010; Published: May 1, 2010 Show citation
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