Essays about: "structure-activity relationship"

Showing result 1 - 5 of 10 essays containing the words structure-activity relationship.

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

    University essay from Uppsala universitet/Institutionen för farmaceutisk biovetenskap

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

    Abstract : 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. READ MORE

  3. 2. Semi-Supervised Learning for Predicting Biochemical Properties

    University essay from Uppsala universitet/Institutionen för informationsteknologi

    Author : Travis Persson; [2021]
    Keywords : ;

    Abstract : The predictive performance of supervised learning methods relies on large amounts of labeled data. Data sets used in Quantitative Structure Activity Relationship modeling often contain a limited amount of labeled data, while unlabeled data is abundant. READ MORE

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

    University essay from Uppsala universitet/Institutionen för farmaceutisk biovetenskap

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

    Abstract : 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. READ MORE

  5. 4. Selective Inhibition of Metacaspase 4 in Arabidopsis Thaliana  

    University essay from Umeå universitet/Kemiska institutionen

    Author : Thilde Andersson; [2021]
    Keywords : ;

    Abstract : Metacaspases are a recently discovered family of cysteine-dependent proteases present in plants, fungi, and lower eukaryotes. They are believed to be involved in regulated cell death in non-metazoan cells, but little is known about their distinct functional properties. READ MORE

  6. 5. Deep learning prediction of Quantmap clusters

    University essay from Uppsala universitet/Institutionen för biologisk grundutbildning

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

    Abstract : 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. READ MORE