KCL Informatics - Systems Biology

OPLRAreg

Mixed Integer Piecewise Regression Algorithm with Regularisation

qsar-models

Data and regression models for QSAR

qsar-tutorial

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

Optimisation-based-Modelling-for-Explainable-Lead-Discovery-in-Malaria

coxae

DT2Vec

Implementation of DT2Vec (a novel drug-target interaction via link prediction and network embedding) in Python and R

JoRo_PRO

Database development for Joseph's project

melanoma-ig

Analysis for Crescioli et al. B-cell response in Melanoma

modSAR

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

Similarity-Fusion-GRMF