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August 7, 2025Journal of CheminformaticsOpen Access

From molecules to data: the emerging impact of chemoinformatics in chemistry

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Authors

ACAnup Basnet ChetryKOKeisuke Ohto

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Overview

This article highlights how chemoinformatics leverages data and machine learning to enhance drug discovery and materials science, suggesting a promising future for interdisciplinary collaboration.

Key Points

  • Chemoinformatics integrates chemistry and computer science to enhance research efficiency in chemical systems.
  • Recent advancements in artificial intelligence and machine learning have improved molecular property predictions.
  • Open-access databases and collaborative platforms have increased access to crucial chemical data and fostered innovation.
  • Emerging technologies like quantum computing may revolutionize chemical simulations and optimizations while addressing data challenges.

Cite This Study

Chetry et al. (2025) studied this question.

synapsesocial.com/papers/689dfe90d61984b91e13bd6fhttps://doi.org/10.1186/s13321-025-00978-6
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