Home Search Browse Generate Download User Guide About us

NATGEN

Natural Product Database

NATGEN DB provides open access to 721,010 natural product structure predictions to accelerate scientific research

Start Exploring
0
Structures
0
Downloads
0
Citations

Browse All Natural Products

Generate Natural Product Structures

Enter a SMILES and click Generate to predict configuration and generate 3D conformers

Download Database

The complete NATGEN database is available for download. Please fill out the form below to request access. We require this information to understand usage patterns and improve our services. Your data will be kept confidential.

Complete Database

Format: SDF

Size: ~2.5 GB

Request Download Link

User Guide

Search

Enter a SMILES string with complete configuration information to search for the molecule in our database and view its properties.

Browse

Explore all molecules in the database with pagination, click any molecule to view detailed information.

Generate

Enter a SMILES string. If it contains complete stereochemistry information, 10 conformers will be generated directly. If the stereochemistry is incomplete or missing, NatGen will first predict the configuration, then generate 10 conformers matching the predicted stereochemistry.

Download

Fill out the request form to obtain the complete database download link via email.

Developed by the Innovation Center for AI and Drug Discovery
— East China Normal University (ECNU)
Copyright © 2024 Prof. HongLin Li's Group