AMBIT:Chemical Structure DB&Web Service Files

Chemical structures database & machine learning with web services API

Brought to you by: luchesar, vedina

The interactive file manager requires Javascript. Please enable it or use sftp or scp.
You may still browse the files here.

Name	Modified	Size	InfoDownloads / Week
Parent folder
ambitcli	2018-12-08		2
tautomers	2016-04-18		0
appdomain	2014-07-28		0
README.md	2016-04-18	682 Bytes	0
Totals: 4 Items		682 Bytes	2

AMBIT command line applications

ambitcli

A command line Java application used for processing chemical files, structure standardisation, import into AMBIT database and processing AMBIT database entries. More info at http://ambit.sourceforge.net/download_ambitcli.html

appdomain

An example application for estimating applicability domain. Code at GitHub https://github.com/ideaconsult/examples-ambit/tree/master/appdomain-example

tautomers

An example application for generating tautomers

Source: README.md, updated 2016-04-18

Other Useful Business Software

Keep company data safe with Chrome Enterprise

Protect your business with AI policies and data loss prevention in the browser

Make AI work your way with Chrome Enterprise. Block unapproved sites and set custom data controls that align with your company's policies.

Download Chrome

Build Securely on Azure with Proven Frameworks

Lay a foundation for success with Tested Reference Architectures developed by Fortinet’s experts. Learn more in this white paper.

Moving to the cloud brings new challenges. How can you manage a larger attack surface while ensuring great network performance? Turn to Fortinet’s Tested Reference Architectures, blueprints for designing and securing cloud environments built by cybersecurity experts. Learn more and explore use cases in this white paper.

Download Now

Recommended Projects

RDKit
A collection of cheminformatics and machine-learning software written in C++ and Python. NOTE: the RDKit source code and downloads are now in github: https://github.com/rdkit/rdkit The core algorithms and data structures are written in C++. Wrappers are provided to use the toolkit from...
Toxmatch
Toxmatch is a flexible and user-friendly open-source software application that encodes several chemical similarity indices to facilitate the grouping of chemicals into categories and read-across. The core functionalities include the ability to compare datasets based on various structural and...
MCDL
MCDL is a small Java molecular viewer/editor for chemical structures, stored in Modular Chemical Descriptor Language linear notation. Features include accurate structure diagram generation, and Kekule chemical structure creation from aromatic bond list.
NMRShiftDB
NMRShiftDB is an open-source, open-access, open-submission, open-content web database for chemical structures and their nuclear magnetic resonance data.
Jmol
Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol...