arXiv AI By Mia MacGregor, Aakash Welgamage Don, Mark Bartlett

Analysis of Prompt Engineering for Drug Toxicity Prediction

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The paper investigates how the phrasing of prompts affects large language models (LLMs) in predicting drug toxicity. By varying job role, prompt structure, and rule interpretation, the authors found that natural variability in LLM outputs outweighs fine‑tuning of prompts. However, incorporating chemoinformatic code to extract features significantly improved model performance, suggesting that prompt engineering alone is insufficient for reliable toxicity prediction.

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