Essays about: "Novel Drug"

Showing result 1 - 5 of 82 essays containing the words Novel Drug.

  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. Establishing novel approaches for assessing safety of genome-editing-based therapeutics

    University essay from Uppsala universitet/Institutionen för biologisk grundutbildning

    Author : Noorul Shaheen Sheikh Farid; [2023]
    Keywords : ;

    Abstract : Genome editing based medicines are a new therapeutic modality being developed. They show great promise for a spectrum of genetic diseases lacking conventional treatment strategies. A major obstacle that prevents such therapies to reach the clinic is their safety. READ MORE

  4. 3. A novel approach for functionalising and separating Tröger's Base Analogues

    University essay from Lunds universitet/Centrum för analys och syntes

    Author : Emil Jakobsson; [2023]
    Keywords : Tröger s Base; Synthesis; Chromatography; Supramolecular chemistry; Diastereomers; Organic chemistry; Chemistry;

    Abstract : Tröger’s Base (TB) is a bicyclic compound containing a methanodiazocine group between two aromatic rings. The methylene bridge forces the molecule to have a bent formation; thus, the aromatic rings are close to 90 degrees relative to each other, resulting in a rigid concave aromatic cavity. READ MORE

  5. 4. Intersecting Graph Representation Learning and Cell Profiling : A Novel Approach to Analyzing Complex Biomedical Data

    University essay from Uppsala universitet/Institutionen för farmaceutisk biovetenskap

    Author : Nima Chamyani; [2023]
    Keywords : Graph representation learning; Cell profiling; Biological systems; Network medicine; Graphs; Machine learning techniques; Graph neural networks GNNs ; Protein-Compound-Pathway interactions; Biomarkers; Drug discovery;

    Abstract : In recent biomedical research, graph representation learning and cell profiling techniques have emerged as transformative tools for analyzing high-dimensional biological data. The integration of these methods, as investigated in this study, has facilitated an enhanced understanding of complex biological systems, consequently improving drug discovery. READ MORE

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

    University essay from Uppsala universitet/Läkemedelsdesign och läkemedelsutveckling

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

    Abstract : 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. READ MORE