FAPM: Functional Annotation of Proteins using Multi-Modal Models Beyond Structural Modeling.

Wenkai Xiang, Zhaoping Xiong, Huan Chen, Jiacheng Xiong, Wei Zhang, Zunyun Fu, Mingyue Zheng, Bing Liu, Qian Shi
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Abstract

Motivation: Assigning accurate property labels to proteins, like functional terms and catalytic activity, is challenging, especially for proteins without homologs and "tail labels" with few known examples. Previous methods mainly focused on protein sequence features, overlooking the semantic meaning of protein labels.

Results: We introduce FAPM, a contrastive multi-modal model that links natural language with protein sequence language. This model combines a pretrained protein sequence model with a pretrained large language model to generate labels, such as Gene Ontology (GO) functional terms and catalytic activity predictions, in natural language. Our results show that FAPM excels in understanding protein properties, outperforming models based solely on protein sequences or structures. It achieves state-of-the-art performance on public benchmarks and in-house experimentally annotated phage proteins, which often have few known homologs. Additionally, FAPM's flexibility allows it to incorporate extra text prompts, like taxonomy information, enhancing both its predictive performance and explainability. This novel approach offers a promising alternative to current methods that rely on multiple sequence alignment for protein annotation. The online demo is at: https://huggingface.co/spaces/wenkai/FAPM_demo.

Supplementary information: Supplementary data are available at Bioinformatics online.

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FAPM:超越结构建模的多模式蛋白质功能注释。
动机为蛋白质指定准确的属性标签(如功能术语和催化活性)是一项挑战,尤其是对于没有同源物的蛋白质和已知例子很少的 "尾标签"。以前的方法主要关注蛋白质序列特征,忽略了蛋白质标签的语义:我们介绍了 FAPM,这是一种将自然语言与蛋白质序列语言联系起来的对比性多模态模型。该模型将预训练的蛋白质序列模型与预训练的大型语言模型相结合,用自然语言生成基因本体(GO)功能术语和催化活性预测等标签。我们的研究结果表明,FAPM 在理解蛋白质特性方面表现出色,优于仅基于蛋白质序列或结构的模型。它在公共基准和内部实验注释的噬菌体蛋白质(通常只有很少的已知同源物)上达到了最先进的性能。此外,FAPM 的灵活性还使其能够结合额外的文本提示,如分类信息,从而提高其预测性能和可解释性。这种新颖的方法为目前依赖多序列比对进行蛋白质注释的方法提供了一种很有前途的替代方法。在线演示见:https://huggingface.co/spaces/wenkai/FAPM_demo.Supplementary information:补充数据可在 Bioinformatics online 上获取。
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