Efficient HPLC method development using structure-based database search, physico-chemical prediction and chromatographic simulation.

@article{Wang2015EfficientHM,
  title={Efficient HPLC method development using structure-based database search, physico-chemical prediction and chromatographic simulation.},
  author={Lin Wang and Jinjian Zheng and Xiaoyi Gong and Robert Hartman and Vincent L Antonucci},
  journal={Journal of pharmaceutical and biomedical analysis},
  year={2015},
  volume={104},
  pages={49-54}
}
Development of a robust HPLC method for pharmaceutical analysis can be very challenging and time-consuming. In our laboratory, we have developed a new workflow leveraging ACD/Labs software tools to improve the performance of HPLC method development. First, we established ACD-based analytical method databases that can be searched by chemical structure similarity. By taking advantage of the existing knowledge of HPLC methods archived in the databases, one can find a good starting point for HPLC… CONTINUE READING