Essays about: "Drug Discovery"

Showing result 1 - 5 of 80 essays containing the words Drug Discovery.

  1. 1. Machine learning for molecular property prediction and drug safety

    University essay from Göteborgs universitet/Institutionen för data- och informationsteknik

    Author : Kinga Jenei; [2023-10-23]
    Keywords : Molecular property prediction; Acid dissociation constant; pKa; Machine learning; Graph Neural Networks; Molecular descriptors; Drug Discovery;

    Abstract : Utilizing machine learning methods for the prediction of acid dissociation (pKa ) values of compounds holds great significance, as pKa is an important parameter, optimized frequently in drug discovery. Accurate prediction of pKa values could potentially provide valuable insights on other molecular properties and thereby support compound design. READ MORE

  3. 2. Creating a High-Throughput Workflow for Automated Peptide Characterization using LC-MS

    University essay from Lunds universitet/Centrum för analys och syntes

    Author : Sara Forsberg; [2023]
    Keywords : High-throughput analysis; Impurity profiling; UHPLC-HRMS; Peptide characterization; Peptide descriptors; Analytical chemistry; Technology and Engineering;

    Abstract : In the early stage of a drug discovery project, there is a need for efficient methods that can analyse peptides in short time. This includes methods that confirm the peptide’s identity and estimates its relative purity in an efficient and reliable way. READ MORE

  4. 3. Analyzing the performance of active learning strategies on machine learning problems

    University essay from Uppsala universitet/Avdelningen för systemteknik

    Author : Vendela Werner; [2023]
    Keywords : computer science; bioinformatics; machine learning; active learning; artificial intelligence; supervised learning; Astrazeneca; maskininlärning; artificiell intelligens; datorvetenskap; active learning; bioinformatik; supervised learning;

    Abstract : Digitalisation within industries is rapidly advancing and data possibilities are growing daily. Machine learning models need a large amount of data that are well-annotated for good performance. To get well-annotated data, an expert is needed, which is expensive, and the annotation itself could be very time-consuming. READ MORE

  5. 4. Acoustic Focusing of Lysozyme Crystals

    University essay from KTH/Tillämpad fysik

    Author : Måns Junestrand; [2023]
    Keywords : Protein Crystals; Lysozyme Crystals; Ultrasound; Acoustic Focusing; SFX; Biomedical Physics; Proteinkristaller; Ultraljud; Lysozymkristaller; Akustisk fokusering; SFX; Biomedicinsk fysik;

    Abstract : Acoustic focusing of microscale protein crystals with acoustophoresis technology could reduce clogs during experiments with the scientific technique serial femtosecond x-ray crystallography (SFX). SFX determines molecular structures of proteins, these structures are valuable in drug discovery and fundamental biomedical research. READ MORE

  6. 5. The Effect of Noise Levels on the Performance of Shor’s Algorithm

    University essay from KTH/Skolan för elektroteknik och datavetenskap (EECS)

    Author : Niklas Höstedt; Tobias Ljunggren; [2023]
    Keywords : Bachelor’s thesis; Quantum Computing; Shor’s algorithm; Noise; Cryptography; Qiskit; Kandidatexamensarbete; Kvantdatorer; Shors algorithm; Brus; Kryptografi; Qiskit;

    Abstract : Advanced enough quantum computers promise to revolutionise fields such as cryptography, drug discovery and simulations of complex systems. Quantum computers are built on qubits which are fragile and susceptible to error-inducing interference, which is called noise. READ MORE