Leveraging protein language model embeddings and logistic regression for efficient and accurate in-silico acidophilic...

The increasing demand for eco-friendly technologies in biotechnology necessitates effective and sustainable catalysts. Acidophilic proteins, functioning optimally in highly acidic environments, hold immense promise for various applications, including food production, biofuels, and bioremediation. However, limited knowledge about these proteins hinders their exploration. This study addresses this gap by employing in silico methods utilizing computational tools and machine learning. We propose a novel approach to predict acidophilic proteins using protein language models (PLMs), accelerating discovery without extensive lab work. Our investigation highlights the potential of PLMs in understanding and harnessing acidophilic proteins for scientific and industrial advancements. We introduce the ACE model, which combines a simple Logistic Regression model with embeddings derived from protein sequences processed by the ProtT5 PLM. This model achieves high performance on an independent test set, with accuracy (0.91), F1-score (0.93), and Matthew's correlation coefficient (0.76). To our knowledge, this is the first application of pre-trained PLM embeddings for acidophilic protein classification. The ACE model serves as a powerful tool for exploring protein acidophilicity, paving the way for future advancements in protein design and engineering.