Small competition project to evaluate several splitting methods for double cold splits of Drug-Target-Interaction datasets
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Updated
Jun 24, 2022 - Python
Small competition project to evaluate several splitting methods for double cold splits of Drug-Target-Interaction datasets
Addressing the class imbalance problem in deep learning-based drug discovery: a graph neural network to predict drug-target binding affinity of protein fibrils
Code to accompany the paper: ”ProteinNetworkSight efficiently transforms co-expressed protein lists into interactive networks and offers suggestions for their modifications”
Source code and dataset for paper "BNEMDI: a novel multiple features integrated model for miRNA-drug interaction prediction"
My Machine Learning Projects
Predicting Drug-Gene Relations via Analogy Tasks with Word Embeddings
D2MD: a DNA-Drug Molecular Docking Suite
Individual project for 5th year where models were trained to predict whether a drug and a protein bind together using their chemical properties and protein structural embeddings extracted from AlphaFold. Notebooks & Streamlit App Available
Using spectral graph theory to analyze two biological networks
Code for Binding Affinity Prediction with Graph Neural Networks
An integrated drug-target bioactivity matrix across 52,498 chemical compounds and 467 kinase targets
Integrated View Predictive GAN for Drug-Target Indication Prediction
A comprehensive toolkit for handling various machine learning methods and datasets related to drug-target interaction (DTI).
Two matrix factorisation methods to solve drug-target interaction problem
DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images-with test scripts
NeuRank: Learning to Ranking with Neural Networks for Drug-Target Interaction Prediction
R scripts included in a bioinformatics pipeline for differential PGx analysis of cancer drug response
Final Project of Deep Learning for Healthcare Spring 2022 - Reproducing DeepDTA
De novo target prediction by chemical similarity-guided network-based inference
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