Примаченко, Максим Юрійович2024-04-222024-04-2220232024Prymachenko M. Y. Generation of drug-like molecules with spatial conformations driven by expected gene expression signature and target receptor : explanatory note to the bachelor's level qualification thesis : 122 «Computer Science» / Maksym Prymachenko ; Lviv Polytechnic National University. – Lviv, 2023. – 63 p.https://ena.lpnu.ua/handle/ntb/61824A student of the KN-414 group, Prymachenko Maksym, completed the bachelor's qualification work. Topic "Generation of drug-like molecules with spatial conformations driven by expected gene expression signature and target receptor." The work aims to obtain a bachelor's degree in the specialty 122 "Computer Science." The object of research is the de novo design of small molecules using neural networks. The research aims to develop a neural network for generating drug-like molecules with spatial conformations driven by expected gene expression signatures and target receptors. Shape-based features are used to represent a molecule. Together with compressed data on gene expression, they form a shared latent space. From this latent space, having one part, another is generated. The molecules themselves are generated from the generated forms to the text representation. As a result of the bachelor’s qualification works, was developed and trained a neural network for the de novo design of drug-like molecules. The total volume of work: 59 pages, 25 figures, 27 references.enautoencoders, bioinformatics, generative neural networks, drug design.Students_diploma63