Open and reusable annotated mass spectrometry dataset of a chemodiverse collection of 1,600 plant extracts

Open and reusable annotated mass spectrometry dataset of a chemodiverse collection of 1,600 plant extracts

(2023) Pierre-Marie Allard et al.   GigaScience

The LOTUS initiative for open knowledge management in natural products research

(2022) Adriano Rutz et al.   eLife

Quinolizidine Alkaloids from Cylicomorpha solmsii

(2021) Isabelle Pouny et al.   JOURNAL OF NATURAL PRODUCTS

Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships

(2021) Florian Huber et al.   PLoS Computational Biology

NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products

(2021) Hyun Woo Kim et al.   JOURNAL OF NATURAL PRODUCTS

Visualization of very large high-dimensional data sets as minimum spanning trees

(2020) Daniel Probst et al.   Journal of Cheminformatics

Acetogenins from Annonaceae family. Their potential biological applications

(2020) Adriana Neske et al.   PHYTOCHEMISTRY

One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome

(2020) Alice Capecchi et al.   Journal of Cheminformatics

Identification of key enzymes responsible for protolimonoid biosynthesis in plants: Opening the door to azadirachtin production

(2019) Hannah Hodgson et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Taxonomically Informed Scoring Enhances Confidence in Natural Products Annotation

(2019) Adriano Rutz et al.   Frontiers in Plant Science

SmilesDrawer: Parsing and Drawing SMILES-Encoded Molecular Structures Using Client-Side JavaScript

(2018) Daniel Probst et al.   Journal of Chemical Information and Modeling

Integration of Molecular Networking and In-Silico MS/MS Fragmentation for Natural Products Dereplication

(2016) Pierre-Marie Allard et al.   ANALYTICAL CHEMISTRY

Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking

(2016) Mingxun Wang et al.   NATURE BIOTECHNOLOGY

Partial synthesis of 14-deoxy-14-aminotriptolide

(2016) El Bachir Kaloun et al.   TETRAHEDRON LETTERS

Cytisine-like alkaloids from Ormosia hosiei Hemsl. & E.H. Wilson

(2014) Isabelle Pouny et al.   PHYTOCHEMISTRY

A cross-platform toolkit for mass spectrometry and proteomics

(2012) Matthew C Chambers et al.   NATURE BIOTECHNOLOGY

Semisynthetic neoboutomellerone derivatives as ubiquitin-proteasome pathway inhibitors

(2011) Joséphine Beck et al.   BIOORGANIC & MEDICINAL CHEMISTRY

MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

(2010) Tomáš Pluskal et al.   BMC BIOINFORMATICS

Physalin B, a novel inhibitor of the ubiquitin-proteasome pathway, triggers NOXA-associated apoptosis

(2008) Isabelle Vandenberghe et al.   BIOCHEMICAL PHARMACOLOGY