mechanism-of-action

Source code and data for "Causal reasoning over knowledge graphs leveraging drug-perturbed and disease-specific transcriptomic signatures for drug discovery"

Elucidate and visualise a compound's mechanism of action by combining structure-based target prediction with gene expression-based causal reasoning, plus pathway enrichment to put results into biological context. GUI-based (minimal coding experience required).

Application of the Simple Sum method for testing co-localization of GWAS with any other SNP-level data (e.g. eQTL data)

Software to classify biological phenotypes from single-cell image-based morphology profiles

PK/PD framework to assess the pharmacological properties of Islatravir (ISL)

Multilabel classification using pytorch neuralnetwork, optimized hyperparameter using optuna.

Predict a compound's mechanism of action from cell images. End-to-end reproducible pipeline on open Cell Painting data: 5-channel microscopy → segmentation → morphological fingerprints → MoA retrieval.

Fall 2022 Bioengineering 298 Final Project: using protein networks to understand drug and disease mechanisms

10-agent autonomous system for rare disease drug repurposing. Synthesizes biomedical signals into mechanism-of-action rationales and FDA 505(b)(2)-aligned dossiers.

Physiological modeling into the metaverse of Mycobacterium tuberculosis beta CA inhibition mechanism

An interpretable, modular deep-learning pipeline for cancer drug-response prediction that fuses a Gene-Ontology visible neural network with a graph-based drug encoder — combining the best of DrugCell, SparseGO, DRPreter, DrugVNN, and PASO.