Method for raising correctness of resin microspheric spectrum coding

Abstract

The invention discloses a method for increasing the code accuracy of resin micro sphere spectrum, 1. carries on infrared or Raman character vibration frequency calculation through quantum chemistry density functional method. 2. multiplies the character vibration frequency with the correcting factor; makes the spectrum acquired in experience have at least one strong peak consistent to the character vibration frequency after being corrected. 3. Selects the spectrum peak dual to the character vibration frequency quantization result from the monomer experiment measuring result, acquires the coding character infrared or Ramon vibration frequency of the monomer. 4. In the infrared or Ramon spectrum experiment measuring results of the resin micro sphere polymer, selects the spectrum dual to the infrared or Ramon vibration frequency, which is used as the spectrum for accurate code.

Description

technical field [0001] The invention belongs to the technical fields of combinatorial chemistry and molecular spectroscopy, and in particular relates to a method for improving the spectral coding accuracy of resin microspheres, and is especially suitable for the realization of a novel self-coding spectral recognition high-throughput drug screening system. Background technique [0002] High-throughput drug screening system, especially the new self-encoded spectral recognition high-throughput drug screening system, is a new method proposed in the world for innovative drug research in recent years, and has broad application prospects. [0003] In the high-throughput drug screening system for self-encoding spectral identification, styrene-based resin microspheres and resin microspheres synthesized by adding different encoding copolymers (with a size of tens to hundreds of microns) are usually combined with candidate compounds or The drug targets are linked one-to-one by means of...

AI Technical Summary

Problems solved by technology

However, in previous studies, people usually regard all the infrared spectrum or Raman spectrum peaks of resin microspheres as characteristic peaks that can be used to build a library, and do not consider whether the experimentally measured infrared spectrum or Raman spectrum exists. Impurity peaks or other peaks that are not suitable for library construction greatly hinder the realization of a high-throughput drug screening system for self-encoded spectral identification

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