A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)

Explainable Physicochemical Determinants of Protein–Ligand Binding via Non-Covalent Interactions

TAG-DTA: Binding Region-Guided Strategy to Predict Drug-Target Affinity Using Transformers

GENNDTI is a machine learning method that predicts drug-target interactions using a graph neural network enhanced by router nodes, effectively integrating biological properties of drugs and targets.

Drug-Target Interaction prediction using unifying of graph regularized nuclear norm with bilinear factorization

An ensemble method implementation to predict drug–target interactions using embeddings and metadata

MVP de cribado virtual asistido por IA y docking molecular con biblioteca botanica de Ecuador y Amazonia.

A weighted average ensemble method implementation to predict drug–target interactions

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