| 摘要 |
A method and apparatus is described for establishing a database comprising numerical values characteristic of the interaction of compounds and surfaces, such as stationary phases in a chromatographic system. In accordance with the invention a mobile phase flow gradient is used for enhancing efficiency and data precision in high throughput drug screening protocols. The chromatographic system includes an eluent flow splitter (10) in fluid communication with the chromatographic unit and the detector to minimize variation in flow rate to the detector with variation of rate of flow of the mobile phase is in the chromatographic unit. With use of a detector capable of providing a signal of the presence, or more preferably an identifying characteristic, of compounds eluting from the system, the invention provides a powerful method for creating a database of numerical values characteristic of the interaction of solute test compounds with a mobile phase and a stationary phase in at least two chromatographic separation systems. Data can be generated efficiently and stored in algorithm accessible electronic storage systems (databases) for use alone or in combination with other molecular descriptors for prediction of biological activity. |
