# DrugAgent: Reliable Multi-Agent Integration of Conflicting Biomedical Evidence for Drug-Target Interaction Assessment

arXiv: https://arxiv.org/abs/2408.13378 · HTML: https://mlsanity.com/paper/2408.13378/

## Key facts

- Cited by 4 papers in the map (data through 14 Oct 2026).
- Placed in Medical and scientific domain agents, one of 16 directions in LLM agents and tool use.
- Builds on 15 of its 46 references that are in the map.
- First posted on arXiv 23 Aug 2024.

## Placed in

- LLM agents and tool use / [Medical and scientific domain agents](https://mlsanity.com/agents/medical-and-scientific-domain-agents/)

## Builds on (most cited first, 15 of 15)

- [Retrieval-Augmented Generation for Knowledge-Intensive NLP Tasks](https://mlsanity.com/paper/2005.11401/) (2020)
- [Judging LLM-as-a-Judge with MT-Bench and Chatbot Arena](https://mlsanity.com/paper/2306.05685/) (2023)
- [Toolformer: Language Models Can Teach Themselves to Use Tools](https://mlsanity.com/paper/2302.04761/) (2023)
- [Emergent Abilities of Large Language Models](https://mlsanity.com/paper/2206.07682/) (2022)
- [Membership Inference Attacks against Machine Learning Models](https://mlsanity.com/paper/1610.05820/) (2016)
- [Improving Factuality and Reasoning in Language Models through Multiagent Debate](https://mlsanity.com/paper/2305.14325/) (2023)
- [Complex Embeddings for Simple Link Prediction](https://mlsanity.com/paper/1606.06357/) (2016)
- [RotatE: Knowledge Graph Embedding by Relational Rotation in Complex Space](https://mlsanity.com/paper/1902.10197/) (2019)
- [Self-Rewarding Language Models](https://mlsanity.com/paper/2401.10020/) (2024)
- [Faithful Chain-of-Thought Reasoning](https://mlsanity.com/paper/2301.13379/) (2023)
- [Judging the Judges: A Systematic Study of Position Bias in LLM-as-a-Judge](https://mlsanity.com/paper/2406.07791/) (2024)
- [Do Membership Inference Attacks Work on Large Language Models?](https://mlsanity.com/paper/2402.07841/) (2024)
- [DeepDTA: Deep Drug-Target Binding Affinity Prediction](https://mlsanity.com/paper/1801.10193/) (2018)
- [Faithfulness vs. Plausibility: On the (Un)Reliability of Explanations from Large Language Models](https://mlsanity.com/paper/2402.04614/) (2024)
- [Arena Learning: Build Data Flywheel for LLMs Post-training via Simulated Chatbot Arena](https://mlsanity.com/paper/2407.10627/) (2024)

## Built on by (most cited first, 4 of 4)

- [From AI for Science to Agentic Science: A Survey on Autonomous Scientific Discovery](https://mlsanity.com/paper/2508.14111/) (2025)
- [LLM-based Agentic Reasoning Frameworks: A Survey from Methods to Scenarios](https://mlsanity.com/paper/2508.17692/) (2025)
- [K-Paths: Reasoning over Graph Paths for Drug Repurposing and Drug Interaction Prediction](https://mlsanity.com/paper/2502.13344/) (2025)
- [MADD: Multi-Agent Drug Discovery Orchestra](https://mlsanity.com/paper/2511.08217/) (2025)

## Abstract (arXiv)

Workflows in drug-target interaction (DTI) assessment require integrating heterogeneous data from predictive models, curated resources, and observations from experimental literature. This evidence can be incomplete or conflicting. DrugAgent is a large language model (LLM)-based multi-agent system focused on DTI evidence integration that integrates outputs from machine learning, knowledge graph, and retrieval-augmented generation (RAG) agents. DrugAgent converts agent outputs into interpretable representations, then summarizes conflict across the evidence. We evaluated DrugAgent on kinase screening data of 900 pairs spanning 178 kinases and 42 inhibitors, and an androgen receptor antagonist screening benchmark. On the kinase dataset, LLM-as-a-Judge evaluation indicated outputs were faithful to input evidence in 98.8% of cases. Biological plausibility of returned summarization was high (scores 3-4 out of 5) across ground-truth classes: 79% of Weak activity labels cases (81% for Moderate/77% Strong); Strong cases received higher scores than Weak/Moderate. Label stability showed 98% agreement across runs. Results on the antagonist benchmark were consistent with the kinase dataset. Retrieved literature provided the greatest benefit when direct drug-target evidence was available, highlighting the importance of evidence availability for RAG-based integration. DrugAgent provides heterogeneous evidence-grounded DTI assessment, complementing standalone DTI prediction. We provide strategies to model agreement, conflict, and uncertainty in biomedical evidence integration. Code: https://github.com/sciluna/DrugAgent.