MFQL files for Natural Products Dereplication
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Updated
Oct 4, 2019 - Perl
MFQL files for Natural Products Dereplication
An R shinny app for Substructure Search in MIBiG database.
Reproducible code and data repository for the fungal ICS BGC prediction publication. GitHub repository is managed by Grant Nickles. For any data related questions email gnickles@wisc.edu or gnick317@gmail.com. For publication questions reach out to the corresponding authors Dr. Drott at Milton.Drott@usda.gov or Dr. Keller at npkeller@wisc.edu.
Codes for cheminformatics analysis of the phytochemical space
Retrieve chemical classes (ClassyFire/NPClassifier), as well as BGC classifications for MIBiG BGCs and match them.
NatPro: Natural Products - Thesis
Feature interrelation profiling using COCONUT and ZINC database
This repo is for the scripts used in preparation of Flongle Actinomycetes paper
Graph Neural Network predicting the chemical composition of organism across the tree of life.
Basic deployment details and issue tracking for the NP Atlas website
Source code and data for "Natural products have increased rates of clinical trial success throughout the drug development process"
Repository for data, code & figures related to the publication: "Natural products from reconstructed bacterial genomes of the Middle and Upper Paleolithic"
a *biosynformatic* fingerprint to explore natural product distance and diversity
Repository for files related to DEREP-NP dereplication database
NatUKE: Natural Product Knowledge Extraction Benchmark
This repository gathers scripts used for the paper "Open and re-usable annotated mass spectrometry dataset of a chemodiverse collection of 1,600 plant extracts."
Data-driven elucidation of flavor chemistry
Source code and data for "Exploring the known chemical space of the plant kingdom: Insights into taxonomic patterns, knowledge gaps, and bioactive regions"
Machine learning meets natural products
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