Sökning: "QSAR"

Visar resultat 1 - 5 av 8 uppsatser innehållade ordet QSAR.

  1. 1. Predicting morphological effect of compounds on COVID-19 infected cells

    Uppsats för yrkesexamina på avancerad nivå, Uppsala universitet/Läkemedelsdesign och läkemedelsutveckling

    Författare :Viktor Öhrner; [2023]
    Nyckelord :QSAR; ML; AI; bioinformatics; COVID-19; morphological profiles;

    Sammanfattning : The cost of developing new drugs is high and the aim of computer-assisted drug discovery is to reduce that development cost, either through virtual screening or generating novel compounds. System biology is one approach to drug discovery where the response of a biological system is the subject of study, instead of drug target interaction. LÄS MER

  3. 2. Comparison of Support Vector Machines and Deep Learning For QSAR with Conformal Prediction

    Master-uppsats, Uppsala universitet/Institutionen för farmaceutisk biovetenskap

    Författare :Maria Deligianni; [2022]
    Nyckelord :support vector machines; machine learning; qsar; conformal prediction; deep learning;

    Sammanfattning : Quantitative Structure Activity Relationship (QSAR) is a very useful computa-tional method which has facilitated great progress in drug development [1]. Thismethod can be used to predict a molecule’s activity against a certain target justby comparing its structural characteristics (i.e. LÄS MER

  4. 3. Multi-task regression QSAR/QSPR prediction utilizing text-based Transformer Neural Network and single-task using feature-based models

    Master-uppsats, Linköpings universitet/Statistik och maskininlärning

    Författare :Spyridon Dimitriadis; [2021]
    Nyckelord :multi-task regression; QSAR; QSPR; deep learning; attention based models; transfer learning;

    Sammanfattning : With the recent advantages of machine learning in cheminformatics, the drug discovery process has been accelerated; providing a high impact in the field of medicine and public health. Molecular property and activity prediction are key elements in the early stages of drug discovery by helping prioritize the experiments and reduce the experimental work. LÄS MER

  5. 4. Improving ligand-based modelling by combining various features

    Master-uppsats, Uppsala universitet/Institutionen för farmaceutisk biovetenskap

    Författare :Abir Omran; [2021]
    Nyckelord :Machine learning; QSAR; Support Vector Machine; Morphological Profiles; Conformal Prediction;

    Sammanfattning : Background: In drug discovery morphological profiles can be used to identify and establish a drug's biological activity or mechanism of action. Quantitative structure-activity relationship (QSAR) is an approach that uses the chemical structures to predict properties e.g., biological activity. LÄS MER

  7. 5. Deep learning prediction of Quantmap clusters

    Master-uppsats, Uppsala universitet/Institutionen för biologisk grundutbildning

    Författare :Akshai Parakkal Sreenivasan; [2021]
    Nyckelord :Deep Learning; Machine Learning; Deep Neural Network; Convolutional Neural Network; Recurrent Neural Network; Drug classification; Drug-biological function;

    Sammanfattning : The hypothesis that similar chemicals exert similar biological activities has been widely adopted in the field of drug discovery and development. Quantitative Structure-Activity Relationship (QSAR) models have been used ubiquitously in drug discovery to understand the function of chemicals in biological systems. LÄS MER