# About

## Introduction

CMNPD is a manually curated open access knowledge base dedicated to marine natural products research. The data is extracted from published scientific literature and authoritative databases. CMNPD provides information on chemical entities with various physicochemical and pharmacokinetic properties, standardized biological activity data, systematic taxonomy and geographical distribution of source organisms, and detailed literature citations. It is an integrated platform for structure dereplication of (marine) natural products, discovery of lead compounds, data mining of structure-activity relationships and investigation of chemical ecology. We are committed to providing a freely accessible database for not only professional marine natural product researchers but also the broad scientific community to facilitate drug discovery from the ocean.

## Content 

* Compound name (trivial name and systematic name) 
* Chemical structure (2D and 3D)
* Computed descriptors (SMILES, InChI, InChI Key)
* Calculated properties (physicochemical properties and ADMET prediction) 
* Structural classification based on ClassyFire
* Systematic taxonomy of source organisms (kingdom, phylum, class, order, family, genus and species)
* Sampling location (geographic region and coordinates) 
* Biological activities (pharmacological effects, targets, binding constants, etc.)
* Spectral Information (IR, MS, NMR, UV/VIS, etc.)
* Document citations (scientific literature and patent)
* External links to ChEMBL and PubChem

## Statistics

| Data collection | Live count | Description                                     |
| --------------- | ---------- | ----------------------------------------------- |
| Compounds       | 31 561     | Unique chemical structures                      |
| Organisms       | 3 354      | Source organisms by species level               |
| Targets         | 2 652      | Targets classified according to ChEMBL category |
| Bioactivities   | 72 349     | Biological activity data                        |
| Documents       | 128 488    | Scientific literature and patents               |

## Affiliation

This project was established by [State Key Laboratory of Natural and Biomimetic Drugs](http://sklnbd.bjmu.edu.cn/English/), [School of Pharmaceutical Sciences](http://sps.bjmu.edu.cn/gbenglish/index.htm), [Peking University](http://english.pku.edu.cn/).

## Interface Developer

Web interface was designed by Chuanyu Lyu. Website development and data visualization were provided by [EHBIO Gene Technology (Beijing) co., LTD.](http://www.ehbio.com/index_en.html)


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