dti-prediction

There are 2 repositories under dti-prediction topic.

kexinhuang12345 / DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
drug-repurposing deep-learning drug-target-interactions toolkit covid19 virtual-screening drug-discovery ppi ddi dti-prediction drug-property-prediction protein-function-prediction repurposing-drugs qsar side-effects drug-drug-interaction protein-protein-interaction drug-target-interaction bioinformatics
Language:Jupyter Notebook 910
THinnerichs / DTI-VOODOO
A PPI network driven approach to drug-target-interaction prediction using deep graph learning methods.
graph-neural-networks ppi-networks dti-prediction ontologies
Language:TeX 9
Amirreza-Mousavi / Aspartate_Racemase_Ligands_Simlarity_Score
An R script that uses MACCS166 chemical fingerprint and calculates Jaccard Index/Tanimoto Coefficient for a list of Aspartate Racemase Ligands
chemoinformatics maccs-fingerprint jaccard-index tanimoto-coefficient aspartate-racemase ligand dti-prediction dti r
Language:R 1
Amirreza-Mousavi / Protein_Normalized_SW_Similarity_Score
An R script that calculates a similarity matrix for a list of protein sequences with the aid of Bleakley-Yamanishi Normalized Smith-Waterman Similarity Score.
psa pairwise-alignment sequence sequence-alignment r fasta fasta-sequences biostrings similarity-score similarity-matrix drug-discovery dti dti-prediction protein protein-sequences smith-waterman smith-waterman-alignment computer-aided-drug-design computational-biology local-alignment
Language:R 1
Amirreza-Mousavi / Aspartate_Racemase_Ligands_Bioactivity_Prediction
This scripts tries to predict the bioactivity of 131 compounds related to Aspartate Racemase enzyme with the aid of decision trees and SVM
svm support-vector-machines svm-model aspartate-racemase ligand dti dti-prediction chembl bioactivity chemoinformatics decision-trees maccs-fingerprint smiles
Language:R 0