ArticleChemical science2024
Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules.
Article in Chemical science, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
What it found
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Who cites it
13 citing papers in PubMed.
- A survey on large language models in biology and chemistry.Experimental & molecular medicine · 2026Review
- From Prompt to Drug: Toward Pharmaceutical Superintelligence.ACS central science · 2026Review
- Entropy-based byte patching transformer for self-supervised pretraining of SMILES data.iScience · 2026Article
- Lab to codes: multimodel advanced AI-driven pipelines to drive antimicrobial peptide design for the post-antibiotic era.Frontiers in cellular and infection microbiology · 2026Review
- Harnessing Machine Learning Approaches for the Identification, Characterization, and Optimization of Novel Antimicrobial Peptides.Antibiotics (Basel, Switzerland) · 2025Review
- Machine Learning for Green Solvents: Assessment, Selection and Substitution.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
- Probing the limitations of multimodal language models for chemistry and materials research.Nature computational science · 2025Article
- A framework for evaluating the chemical knowledge and reasoning abilities of large language models against the expertise of chemists.Nature chemistry · 2025Article
- Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs Using Large Language Models.Angewandte Chemie (International ed. in English) · 2025Article
- A review of large language models and autonomous agents in chemistry.Chemical science · 2025Review
- DrugReAlign: a multisource prompt framework for drug repurposing based on large language models.BMC biology · 2024Article
- The application of chemical similarity measures in an unconventional modeling framework c-RASAR along with dimensionality reduction techniques to a representative hepatotoxicity dataset.Scientific reports · 2024Article
- Analysis and prediction in SCR experiments using GPT-4 with an effective chain-of-thought prompting strategy.iScience · 2024Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We evaluate the effectiveness of fine-tuning GPT-3 for the prediction of electronic and functional properties of organic molecules. Our findings show that fine-tuned GPT-3 can successfully identify and distinguish between chemically meaningful patterns, and discern subtle differences among them, exhibiting robust predictive performance for the prediction of molecular properties. We focus on assessing the fine-tuned models' resilience to information loss, resulting from the absence of atoms or chemical groups, and to noise that we introduce
Identifiers
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.