Digital Discovery

Digital Discovery is an open access journal that publishes both theoretical and experimental research at the intersection of chemistry, materials science and biotechnology. We focus on the development and application of machine learning, AI and automation tools to unravel scientific problems, and we put data first to ensure reproducibility and faster progress for everyone. Chemists, biologists, engineers, physicists – if your work is driving digital transformation, you are home.

ISSN: 2635-098X

Scope

Digital Discovery welcomes both experimental and computational work on all topics related to the acceleration of discovery such as screening, robotics, databases and advanced data analytics, broadly defined, but anchored in chemistry.

The journal publishes research related to chemical, materials, biochemical, biomedical, or biophysical sciences and specific topics include:

Artificial intelligence and other high throughput computational methodologies for molecular, materials and formulation design:

• Computer-assisted retrosynthesis
• Generative models for scientific design
• Machine learning classification and regression models
• Quantum algorithms for quantum simulation and data science as applied to molecular and materials discovery
• Modern molecular, materials, and biological representations
• Molecular, Materials and Chemo- and Bio-informatics
• Methods for Bayesian optimization and design of experiments
• Advances and applications of interpretable models
• Image recognition
• Natural language processing
• Literature mining tools

 The "digital transformation" of the chemical industry is a huge driver for the twenty-first century and we want this journal to be the premier venue for papers related to this topic.

Alán Aspuru-Guzik, Editor-in-Chief

Information for authors

Want to publish in this journal? Our author guidelines explain how to prepare and submit your article and provide useful information on the review and publication process including transfers, revisions and any article processing charges (APCs) that may apply.

Read author guidelines

You can read our payments and funding information for further details about APCs, which may apply for publishing open access in this journal, as well available discounts and waivers.

You may be able to publish open access in this journal, with no APC to pay, if your institution has an open access agreement with us. You can use our journal finder tool to check for agreements between us and your institution.