Large Language Models
for Inorganic Synthesis Predictions
Posted on 2024-07-11 - 18:07
We evaluate the effectiveness of pretrained and fine-tuned
large
language models (LLMs) for predicting the synthesizability of inorganic
compounds and the selection of precursors needed to perform inorganic
synthesis. The predictions of fine-tuned LLMs are comparable toand
sometimes better thanrecent bespoke machine learning models
for these tasks but require only minimal user expertise, cost, and
time to develop. Therefore, this strategy can serve both as an effective
and strong baseline for future machine learning studies of various
chemical applications and as a practical tool for experimental chemists.
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Kim, Seongmin; Jung, Yousung; Schrier, Joshua (2024). Large Language Models
for Inorganic Synthesis Predictions. ACS Publications. Collection. https://doi.org/10.1021/jacs.4c05840