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@KISysBio

KCL Informatics - Systems Biology

King's College London - Dept. of Informatics - Systems Biology group (Dr. Sophia Tsoka)

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  1. qsar-models qsar-models Public

    Data and regression models for QSAR

    HTML 5 2

  2. OPLRAreg OPLRAreg Public

    Mixed Integer Piecewise Regression Algorithm with Regularisation

    Python 4

  3. qsar-tutorial qsar-tutorial Public

    QSAR Tutorial - Obtaining data from ChEMBL and playing around with RDKit

    Jupyter Notebook 4 1

  4. Optimisation-based-Modelling-for-Explainable-Lead-Discovery-in-Malaria Optimisation-based-Modelling-for-Explainable-Lead-Discovery-in-Malaria Public

    Forked from yutongLi1997/Optimisation-based-Modelling-for-Explainable-Lead-Discovery-in-Malaria

    Jupyter Notebook 1

  5. modSAR modSAR Public

    Source code for the paper Cardoso-Silva, J., Papageorgiou, L. G. & Tsoka, S. (2019) Network-based piecewise linear regression for QSAR modelling. http://link.springer.com/10.1007/s10822-019-00228-6

    Jupyter Notebook 1

  6. coxae coxae Public

    Forked from phcavelar/coxae

    Jupyter Notebook

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