The Natural Products Atlas is an open access database of all microbial  natural products, maintained by the Linington lab. You can access it here.

The NP-MRD is an open-access, web-enabled, FAIR-compliant database containing NMR spectra and structure data for all known natural products. The database accepts raw and meta-data from natural products and is electronically accessible database that allows  key information about the world’s natural products to be openly shared and used by all. You can access it here.

NP Analyst is a data integration platform for the de novo prediction of  compound biological activities from complex mixtures. It requires  matched bioassay and MS-based metabolomics data from a sample set as  inputs, and provides both network and table views as outputs. You can access it here. Documentation can be found here.

SNAP-MS is a tool to predict the identities of compound clusters based on mass spectrometry features. You can access it here. Documentation can be found here.

MultiplexMS is a companion tool to perform three tasks: 

(1) Creation of preparation tables and grids, based on a given list of sample names.

(2) deconvolution of a pooled samples feature table, using the beforehand created grids.

(3) Removing absent and highly abundant features from the deconvoluted feature table.

You can access it here. Documentation can be found here.

The core objective of the mvpaShiny is to identify latent  structures and important variables in multivariate datasets, containing multiple supposedly explanatory variables (X) and response (y). mvpaShiny uses the functions embedded in the mvpa R package (multivariate pattern analysis)  bundled in an R shiny web app to facilitate dataset handling  and the downstream data analysis by offering a simple-to-use graphical  user interface. You can find it here. Documentation can be found here.

MADByTE allows for comparative analysis of NMR spectra from large sample  sets, simultaneously, deriving shared structural features from  heteronuclear and homonuclear experiments. Using large sample sets, the  common features between each sample can be visualized to aid in sample  prioritization and structure characterization of scaffolds present. You can access it here. Documentation can be found here.

IsoAnalyst is a mass spectrometry (MS) metabolomics data analysis program designed to determine the number of stable isotopically labeled (SIL) tracers incorporated into metabolites across parallel SIL tracer experiments. You can access it here. 

Natural Products Atlas Data Curator is a data curation platform that volunteer curators use to curate new data for the Atlas. You can access it here. If you are interested in volunteering as a curator, please email the Atlas team at volunteer@npatlas.org.

The lab database for our lab, containing details about collections,  strains, screening results and isolated chemistry. Lab members only,  password protected. You can access it here.

Linington Lab GitHub

Open-source software developed by our lab is managed and released on GitHub.com. You can download software through repositories by accessing the organization here.