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Connecting molecular properties with plain language
Nature Machine Intelligence ( IF 23.8 ) Pub Date : 2024-03-13 , DOI: 10.1038/s42256-024-00812-y
Glen M. Hocky

AI tools such as ChatGPT can provide responses to queries on any topic, but can such large language models accurately ‘write’ molecules as output to our specification? Results now show that models trained on general text can be tweaked with small amounts of chemical data to predict molecular properties, or to design molecules based on a target feature.

中文翻译:

用简单的语言连接分子特性

ChatGPT 等人工智能工具可以对任何主题的查询提供响应,但如此大型的语言模型能否准确地“编写”分子作为我们规范的输出?现在的结果表明,可以使用少量化学数据来调整在一般文本上训练的模型,以预测分子特性,或根据目标特征设计分子。
更新日期:2024-03-13
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