利用聊天机器人获取吸收和荧光光谱数据†

IF 6.2 Q1 CHEMISTRY, MULTIDISCIPLINARY Digital discovery Pub Date : 2024-12-16 DOI:10.1039/D4DD00255E
Masahiko Taniguchi and Jonathan S. Lindsey
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引用次数: 0

摘要

光化学领域支撑着广泛的科学努力,包括各种分子物质,并结合了定性和定量性质的描述,所有这些都可以代表许多科学学科。然而,即使使用最先进的搜索方法,寻找给定化合物的吸收光谱和荧光光谱以及摩尔吸收系数(ε)和荧光量子产率(Φf)的伴随值也是一项艰巨的任务。为了衡量聊天机器人是否可以可靠地用于文献检索,我们使用ChatGPT 3.5、ChatGPT 40、Microsoft Copilot、谷歌Gemini、Gemini advanced和Meta AI对16种常用染料和荧光团的吸收光谱和荧光光谱以及定量参数(ε和Φf)进行了搜索。在大多数情况下,聊天机器人返回的ε和Φf值与已有资源的已知值准确一致,而光谱检索仅略微成功。这些聊天机器人还面临着寻找有效化合物(如罗丹明7G)数据的进一步挑战。每个聊天机器人的结果被分类如下:“捏造”(提供在查询的上下文中不存在的数字),“愚弄”(错误识别化合物但不返回任何数据),“假装”(假装虚构的化合物是真实的,但不提供任何数据),或“忠实”(回应化合物未知或不可用)。总之,目前的缺点不应该掩盖这样的观点,即聊天机器人——明智地使用——已经为寻找颗粒数据的挑战性科学任务提供了宝贵的资源,在较小程度上,为已知化合物的光谱痕迹提供了宝贵的资源。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Acquisition of absorption and fluorescence spectral data using chatbots†

The field of photochemistry underpins broad scientific endeavors, encompasses diverse molecular substances, and incorporates descriptions of qualitative and quantitative properties, all of which together may be representative of many scientific disciplines. Yet finding absorption and fluorescence spectra along with companion values of the molar absorption coefficient (ε) and fluorescence quantum yield (Φf) for a given compound is an arduous task even with the most advanced search methods. To gauge whether chatbots could be used to reliably search the literature, the absorption and fluorescence spectra and quantitative parameters (ε and Φf) for 16 popular dyes and fluorophores were sought using ChatGPT 3.5, ChatGPT 4o, Microsoft Copilot, Google Gemini, Gemini advanced, and Meta AI. In most cases, the values of ε and Φf returned by the chatbots accurately cohered with known values from established resources, whereas the retrieval of spectra was only marginally successful. The chatbots were further challenged to find data for fictive compounds (e.g., rhodamine 7G). The results from each chatbot were categorized as follows: “fabricated” (provides numbers that do not exist in the context queried), “fooled” (mis-identifies the compound but does not return any data), “feigned” (acts as if the fictive compound is real but does not provide any data), or “faithful” (responds that the compound is not known or is not available). In summary, the present shortcomings should not cloud the view that chatbots – judiciously used – already provide a valuable resource for the challenging scientific task of finding granular data, and to lesser degree, spectral traces for known compounds.

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CiteScore
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