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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

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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

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6. coxae coxae Public

   Forked from phcavelar/coxae

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