Bioinformatics sits at the exciting intersection where biology meets data science, using powerful computer tools to decode the vast complexity of living systems. From mapping the human genome to tracking how viruses evolve, this field transforms raw biological information into actionable insights that drive modern medicine and research forward without requiring a supercomputer to understand the basics.

On Gist.Science, we ensure you never miss a breakthrough by processing every new preprint in this category directly from bioRxiv. Our team provides both plain-language explanations and detailed technical summaries for each paper, making cutting-edge discoveries accessible to everyone regardless of their background.

Below are the latest bioinformatics papers added from bioRxiv, ready for you to explore with clarity and depth.

💻 bioinformatics

Positive-Unlabeled Learning for Predicting Small Molecule MS2 Identifiability from MS1 Context and Acquisition Parameters

This paper presents a deep learning framework that utilizes positive-unlabeled learning to predict the identifiability of small molecule MS2 spectra from their MS1 context and acquisition parameters, effectively overcoming the challenge of missing negative labels to guide acquisition decisions and improve metabolite identification.

Bekbergenova, M., Jiang, T., NOTHIAS, L.-F., Bittremieux, W.2026-01-24
💻 bioinformatics

It is Not Always Crystal Clear: In-Pocket Analysis for Understanding Binding Site Microenvironment Properties

The paper introduces In-Pocket, a quantum mechanical optimization method biased by experimental data that enhances the chemical validation and structural reliability of protein-ligand complexes, particularly in cases of insufficient experimental resolution or ambiguous interaction chemistry.

Menezes, F. M. C. M., Froehlich, T., Schofield, L. C., Cremer, J., Agirre, J., Joosten, R. P., Bourgeas, R., Sung, S., M (…)2026-01-22