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Bioinformatics in drug discovery is an exciting and rapidly evolving field that plays an increasingly important role in advancing our understanding of disease and how to treat it. Drug discovery is a highly interdisciplinary field of research, combining the latest advances in structural and molecular biology, computer science, data mining, text mining and data visualization, statistics (including artificial intelligence and machine learning), medicinal chemistry, computational chemistry and cheminformatics, transcriptomics and proteomics, and immunoinformatics; not to mention industrial challenges such as formulation, drug stability, toxicology, pharmacokinetics and pharmacodynamics, metabolism, and cost-effective development.
As a scientific endeavour that straddles academia, non-profits, and the pharmaceutical and biotechnology industries, drug discovery is a necessarily applied field, with the ultimate goal of developing novel and improved therapies to promote human health and wellbeing.
This section publishes high-quality basic, applied, translational, and industry-focused research across the field of bioinformatics in drug discovery, a growing part of bioinformatics that aims to improve our understanding of human health and disease from the population and the organism to the molecular level, in order to discover new and improved treatments. Areas covered by this section include, but are not limited to, the following fields as they pertain to drug discovery:
• Novel methodologies, algorithms, and software development
• Structural bioinformatics
• Computer-aided drug discovery, including computational chemistry and cheminformatics
• Protein-ligand and protein-protein docking and scoring, including high-throughput docking and virtual screening
• QSAR and QSPR
• Artificial intelligence and machine learning
• Databases, data mining, and data visualization (including virtual reality, augmented reality, and mixed reality)
• Phenomenological modelling and systems biology
• Personalized, precision, and stratified medicine
• ADME and toxicity
Submissions describing advances in methodology and/or underlying theory with experimental verification are particularly welcome.
Submissions in the areas of Bioengineering and Biotechnology, Genetics (including genomics and epigenomics), Genome Editing, Human Neuroscience, Medical Technology, Pharmacology, Physiology, and Pathology and Oncology are better suited to their eponymous 'Frontiers in' journals.
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Drug Discovery in Bioinformatics welcomes submissions of the following article types: Brief Research Report, Case Report, Correction, Data Report, Editorial, General Commentary, Hypothesis and Theory, Methods, Mini Review, Opinion, Original Research, Perspective, Review, Systematic Review and Technology and Code.
All manuscripts must be submitted directly to the section Drug Discovery in Bioinformatics, where they are peer-reviewed by the Associate and Review Editors of the specialty section.
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