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.
NatPro: Natural Products - Thesis
Basic deployment details and issue tracking for the NP Atlas website
Repository for files related to DEREP-NP dereplication database
This repo is for the scripts used in preparation of Flongle Actinomycetes paper
Retrieve chemical classes (ClassyFire/NPClassifier), as well as BGC classifications for MIBiG BGCs and match them.
Natural Product Discovery tools -- a toolkit containing various pipelines for in silico analysis of natural product mass spectrometry data
Machine learning meets natural products
Data-driven elucidation of flavor chemistry
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."
Feature interrelation profiling using COCONUT and ZINC database
Source code and data for "Exploring the known chemical space of the plant kingdom: Insights into taxonomic patterns, knowledge gaps, and bioactive regions"
BGC Detection and Classification Using Deep Learning
Graph Neural Network predicting the chemical composition of organism across the tree of life.
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.
a *biosynformatic* fingerprint to explore natural product distance and diversity
Source code and data for "Natural products have increased rates of clinical trial success throughout the drug development process"
Codes for cheminformatics analysis of the phytochemical space
Repository for data, code & figures related to the publication: "Natural products from reconstructed bacterial genomes of the Middle and Upper Paleolithic"
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