Publications by authors named "Andres M Bran"

Large language models (LLMs) have shown strong performance in tasks across domains but struggle with chemistry-related problems. These models also lack access to external knowledge sources, limiting their usefulness in scientific applications. We introduce ChemCrow, an LLM chemistry agent designed to accomplish tasks across organic synthesis, drug discovery and materials design.

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Article Synopsis
  • Large-language models like GPT-4 have sparked interest among scientists, especially in fields like chemistry and materials science.
  • A hackathon was organized to explore their potential applications, resulting in various projects such as predicting molecular properties and developing educational tools.
  • The rapid prototyping of ideas within the hackathon suggests that LLMs could significantly influence multiple scientific disciplines beyond just chemistry and materials science.
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The periodic system encodes order and similarity among chemical elements arising from known substances at a given time that constitute the chemical space. Although the system has incorporated new elements, the connection with the remaining space is still to be analysed, which leads to the question of how the exponentially growing space has affected the periodic system. Here we show, by analysing the space between 1800 and 2021, that the system has converged towards its current stable structure through six stages, respectively characterised by the finding of elements (1800-1826), the emergence of the core structure of the system (1826-1860), its organic chemistry bias (1860-1900) and its further stabilisation (1900-1948), World War 2 new chemistry (1948-1980) and the system final stabilisation (1980-).

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