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Scientific Large Language Models: A Survey on Biological & Chemical Domains

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arxiv 2401.14656 v2 pith:XKNGGIZW submitted 2024-01-26 cs.CL

classification cs.CL
keywords scientificllmslanguagesurveybiologicalchemicalcomprehensivedisciplines
verification ladder T0 review T1 audit T2 compute T3 formal
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Large Language Models (LLMs) have emerged as a transformative power in enhancing natural language comprehension, representing a significant stride toward artificial general intelligence. The application of LLMs extends beyond conventional linguistic boundaries, encompassing specialized linguistic systems developed within various scientific disciplines. This growing interest has led to the advent of scientific LLMs, a novel subclass specifically engineered for facilitating scientific discovery. As a burgeoning area in the community of AI for Science, scientific LLMs warrant comprehensive exploration. However, a systematic and up-to-date survey introducing them is currently lacking. In this paper, we endeavor to methodically delineate the concept of "scientific language", whilst providing a thorough review of the latest advancements in scientific LLMs. Given the expansive realm of scientific disciplines, our analysis adopts a focused lens, concentrating on the biological and chemical domains. This includes an in-depth examination of LLMs for textual knowledge, small molecules, macromolecular proteins, genomic sequences, and their combinations, analyzing them in terms of model architectures, capabilities, datasets, and evaluation. Finally, we critically examine the prevailing challenges and point out promising research directions along with the advances of LLMs. By offering a comprehensive overview of technical developments in this field, this survey aspires to be an invaluable resource for researchers navigating the intricate landscape of scientific LLMs.

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Cited by 5 Pith papers

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. OpenAlex reports about 34 citations worldwide. Full citation record

  1. Hypothesis-and-Refinement Learning of Organic Structures from Multimodal Spectroscopic Data

    physics.chem-ph 2026-07 conditional novelty 6.0 of 10

    A two-stage AI pipeline — spectral hypothesis generation followed by mass-constrained molecular refinement — reconstructs organic structures from multimodal spectra, with 93.8% top-1 accuracy on simulated QM9 data and...

  2. Towards Applying Large Language Models to Complement Single-Cell Foundation Models

    cs.LG 2025-07 conditional novelty 5.0 of 10

    A fusion model called scMPT, combining scGPT with an LLM text encoder, improves single-cell cell type classification on most tested datasets, and the paper shows the LLM relies on marker genes and simple expression patterns.

  3. Towards the Autonomous Optimization of Urban Logistics: Training Generative AI with Scientific Tools via Agentic Digital Twins and Model Context Protocol

    cs.MA 2025-06 conditional novelty 5.0 of 10

    An LLM-powered digital twin uses MCP to connect to Gurobi and AnyLogic, automating freight optimization workflows from natural language requests, but the evidence is limited to one 14-node case study.

  4. From Text to Discovery: How Large Language Models Are Reshaping Research Across Scientific and Humanistic Disciplines

    cs.DL 2026-06 unverdicted novelty 3.0 of 10

    LLMs accelerate research workflows from idea generation to writing but introduce challenges like hallucination, bias, opacity, and ten systemic risks requiring new governance frameworks.

  5. Large Language Models Transform Organic Synthesis From Reaction Prediction to Automation

    cs.AI 2025-08 reject novelty 2.0 of 10

    This survey claims to be the first systematic review of LLMs for organic synthesis, but its central 'evaluation' is never actually performed.

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