Prediction of chemical bioactivity and physical properties has been one of the most
important applications of statistical and more recently, machine learning and artificial …

Over the past two decades, nuclear magnetic resonance (NMR) has emerged as one of the
three principal analytical techniques used in metabolomics (the other two being gas …

MetaboLights is a database for metabolomics studies, their raw experimental data and
associated metadata. The database is cross-species and cross-technique and it covers …

Highlights•A method for increasing size and diversity of plant disease image datasets is
proposed.•Diagnosis is based on image classification for individual lesions and …

The development of magnetic resonance imaging (MRI) techniques has defined modern
neuroimaging. Since its inception, tens of thousands of studies using techniques such as …

Highlights•Drug discovery has been advanced to a big data era with a large amount of
public data sources available.•Ten V features (volume, velocity, variety, veracity, validity …

Openness and sharing of information are fundamental to the progress of science and to the
effective functioning of the research enterprise. The advent of scientific journals in the 17th …

There is an urgent need to improve the infrastructure supporting the reuse of scholarly data.
A diverse set of stakeholders—representing academia, industry, funding agencies, and …

Metabolite profiling is critical in many aspects of the life sciences, particularly natural product
research. Obtaining precise information on the chemical composition of complex natural …

The Ontology for Biomedical Investigations (OBI) is an ontology that provides terms with
precisely defined meanings to describe all aspects of how investigations in the biological …