Leveraging large language models for predictive chemistry
Topics
GPT-3 · large language models · Fine-tuning · natural language processing for chemistry · molecular property prediction · materials property prediction · chemical reaction yield prediction · inverse molecular design · Low-data regime · Foundation model · Textual molecular representation · transfer learning in chemistry · question-answering format · small chemical datasets · benchmarking against specialized models · natural language queries for chemistry
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Pepkio Research Index (PRI). Topics and Trends in Most Cited Computational Drug Discovery Methods Papers, Class of 2026. https://pri.pepkio.com/top-papers/computational-drug-discovery-methods/2026. Accessed 2026-07-22. Zheng Su, Tinsley Li, Thematic Shifts in Early-High-Impact Cancer Genomics and Diagnostics Research: A Bibliometric and Semantic Analysis. bioRxiv 2026.07.04.736459; doi: https://doi.org/10.64898/2026.07.04.736459

