Method for constructing prediction model, method and device for predicting difficulty of polypeptide synthesis

Abstract

The invention provides a peptide synthesis difficulty model constructing method and device, and a peptide synthesis difficulty predicting method and device. The peptide synthesis difficulty model constructing method comprises the steps of firstly, obtaining training data and testing data of a peptide synthesis difficulty predicting model, introducing the training data and the testing data into a plurality of preselected machine learning models, training the plurality of machine learning models for obtaining a training result evaluation index value of each machine learning model, analyzing thepredicting result of each machine learning model according to the training result evaluation index value of each machine learning model, and determining the machine learning model with best predictingresult as the peptide synthesis difficulty predicting model. Then the peptide sequence, the target purity, the target yield and the characteristic information of the to-be-tested peptide are input into the peptide synthesis difficulty model for processing for obtaining the synthesis difficulty of the to-be-tested peptide and realizing peptide synthesis difficulty predicting.

Description

technical field [0001] The present invention relates to the field of computer technology, and more specifically, to a method for constructing a prediction model of polypeptide synthesis difficulty, a method and a device for predicting polypeptide synthesis difficulty. Background technique [0002] A polypeptide is an organic compound in which multiple amino acids are connected by peptide bonds. The synthesis of a polypeptide is the process of using organic chemical means to synthesize a polypeptide. In addition to the correct sequence of the peptide product, industrial peptide synthesis has requirements for the purity and yield of the product. [0003] Polypeptide solid-phase synthesis is composed of a series of complex chemical reactions. Any problem with one or several reactions may cause the sequence, purity or yield of the product to be substandard. The synthesis route needs to be redesigned, which increases the synthesis cost of the peptide. Prolonged the synthesis tim...

AI Technical Summary

Problems solved by technology

The influence of these factors on the difficulty of polypeptides is interactive and non-linear. For example, if the length of the polypeptide is longer than 30aa, it will increase the difficulty of synthesis, but if the length of the polypeptide is too short, less than 5aa, it will also cause difficulties in synthesis.

Therefore, it is difficult to find a set of simple criteria to judge the difficulty of synthesis of peptide sequences

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