Integration of robotics and chemometrics for the automated optimisation of drug extractions

Abstract The liquid—liquid extraction of tricyclic amines (antidepressants) was optimised using mixture experimental designs, the physical part of which was performed by a laboratory robotic system. This system was controlled and directed by a second, external computer. After extraction, phase separation, evaporation of the organic phase and reconstitution of the residue, the final step was the on-line injection of the extracts in the reversed phase high-performance liquid chromatographic (RP-HPLC) system. Criteria used in this optimisation procedure were the extraction yield (recovery) and the partition coefficient. For simultaneous extraction of several compounds the minimal recovery was used as criterion. A totally automated extraction optimisation procedure was now obtained. It was concluded that the robot is suitable for the performance of automated optimisation.