Themed collection Big Data and the Changing Landscape of Natural Products Research

10 items
Open Access Viewpoint

Benefiting from big data in natural products: importance of preserving foundational skills and prioritizing data quality

Big data is changing how we do natural products research and creating exciting new possibilities. Continued attention to enhancing data quality, increasing access, and preserving foundational skills is needed.

Graphical abstract: Benefiting from big data in natural products: importance of preserving foundational skills and prioritizing data quality
Highlight

Predicting biochemical and physiological effects of natural products from molecular structures using machine learning

This Highlight examines recently developed machine learning models to predict biological effects of natural products with focus on molecular featurization.

Graphical abstract: Predicting biochemical and physiological effects of natural products from molecular structures using machine learning
Open Access Review Article

Genome mining methods to discover bioactive natural products

The continual growth of publicly available genomic databases offers researchers unprecedented bioinformatic opportunities. This review examines different approaches to mining genomic data for the targeted discovery of bioactive natural products.

Graphical abstract: Genome mining methods to discover bioactive natural products
Open Access Review Article

Needles in haystacks: reevaluating old paradigms for the discovery of bacterial secondary metabolites

Strategies to enhance the rate of natural product discovery from bacteria provide guidance for designing discovery initiatives.

Graphical abstract: Needles in haystacks: reevaluating old paradigms for the discovery of bacterial secondary metabolites
Review Article

Advancements in capturing and mining mass spectrometry data are transforming natural products research

This review covers the current and potential use of mass spectrometry-based metabolomics data mining in natural products. Public data, metadata, databases and data analysis tools are critical. The value and success of data mining rely on community participation.

Graphical abstract: Advancements in capturing and mining mass spectrometry data are transforming natural products research
Review Article

Metabolomics and genomics in natural products research: complementary tools for targeting new chemical entities

Here we provide a comprehensive guide for studying natural product biosynthesis using genomics, metabolomics, and their integrated datasets. We emphasize integrated strategies and provide a critical outlook on remaining challenges in the field.

Graphical abstract: Metabolomics and genomics in natural products research: complementary tools for targeting new chemical entities
Review Article

The confluence of big data and evolutionary genome mining for the discovery of natural products

The development and application of evolutionary genome mining tools and databases has propelled natural products research into the modern age of Big Data.

Graphical abstract: The confluence of big data and evolutionary genome mining for the discovery of natural products
Open Access Review Article

Advances in decomposing complex metabolite mixtures using substructure- and network-based computational metabolomics approaches

This review highlights the key computational tools and emerging strategies for metabolite annotation, and discusses how these advances will enable integrated large-scale analysis to accelerate natural product discovery.

Graphical abstract: Advances in decomposing complex metabolite mixtures using substructure- and network-based computational metabolomics approaches
Open Access Review Article

A roadmap for metagenomic enzyme discovery

Shotgun metagenomic approaches to uncover new enzymes are underdeveloped relative to PCR- or activity-based functional metagenomics. Here we review computational and experimental strategies to discover biosynthetic enzymes from metagenomes.

Graphical abstract: A roadmap for metagenomic enzyme discovery
Review Article

Microbial natural product databases: moving forward in the multi-omics era

Online databases are becoming key to natural product research, as publication of data is increasingly digitized. Here, we review databases of chemical structures, gene clusters and analytical data, and discuss key challenges and opportunities.

Graphical abstract: Microbial natural product databases: moving forward in the multi-omics era
10 items

About this collection

This themed issue is Guest Edited by Professors Nadja B. Cech, Jon Clardy, and Marnix H. Medema

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