• A
  • A
  • A
  • ABC
  • ABC
  • ABC
  • А
  • А
  • А
  • А
  • А
Regular version of the site
For visually-impairedUser profile (HSE staff only)SearchMenu

Machine Learning Methods for Predicting 3D Structure of Proteins

Student: Boris Tskhay

Supervisor: Mikhail Posypkin

Faculty: Faculty of Computer Science

Educational Programme: Applied Mathematics and Information Science (Bachelor)

Final Grade: 8

Year of Graduation: 2020

The prediction of the three-dimensional structure of the protein is one of the most discussed problems in bioinformatics at the moment. Knowledge of the structure is necessary for understanding the functionality of the protein, which in turn can help in the fight against diseases against which there are no drugs. The aim of this work is to predict the protein contact map. Using the information on the limitations contained in the contact map, it is possible, under certain circumstances, to reconstruct the three-dimensional structure of the protein with high accuracy, due to the fact that this matrix is a two-dimensional representation of the protein. In the course of work, various machine learning models were considered (XGBoost, CatBoost, Logistic Regression, CNN, ResNet, BiLSTM, LSTM). As a result, it was possible to achieve a value of 0.79 on the F1 metric using a hybrid consisting of ResNet and BiLSTM.

Full text (added May 19, 2020)

Student Theses at HSE must be completed in accordance with the University Rules and regulations specified by each educational programme.

Summaries of all theses must be published and made freely available on the HSE website.

The full text of a thesis can be published in open access on the HSE website only if the authoring student (copyright holder) agrees, or, if the thesis was written by a team of students, if all the co-authors (copyright holders) agree. After a thesis is published on the HSE website, it obtains the status of an online publication.

Student theses are objects of copyright and their use is subject to limitations in accordance with the Russian Federation’s law on intellectual property.

In the event that a thesis is quoted or otherwise used, reference to the author’s name and the source of quotation is required.

Search all student theses