Toxmatch Files

Exploring chemical similarity

Brought to you by: 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
toxmatch2008	2019-04-06		2
Totals: 1 Item			2

You Might Also Like

One Platform. Total IT Insight. Start with PRTG Now

Rely on a single source of truth. PRTG unifies monitoring for all your systems, apps, and services.

Why settle for fragmented monitoring? PRTG consolidates everything - servers, VMs, network devices, cloud services, and more, into one powerful platform. Get real-time status, customizable alerts, and deep analytics to drive smarter decisions. Designed for complex environments, PRTG scales with your needs, supports team collaboration, and helps you prevent outages before they impact users. Take control of your IT landscape and deliver the uptime your business requires.

Start Your Free PRTG Trial

OpManager the network monitoring software used by over 1 million IT admins

Network performance monitoring, uncomplicated.

ManageEngine OpManager is a powerful network monitoring software that provides deep visibility into the performance of your routers, switches, firewalls, load balancers, wireless LAN controllers, servers, VMs, printers, and storage devices. It is an easy-to-use and affordable network monitoring solution that allows you to drill down to the root cause of an issue and eliminate it.

Learn More

Recommended Projects

SLD Calculator
A GUI to calculate chemical compound characteristics along with their Neutron and X-Ray Scattering Length Densities. Comes as standalone package for Windows, Linux and MacOS (in the future).
Toxtree: Toxic Hazard Estimation
A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation and Eye irritation prediction -Benigni / Bossa rulebase...
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.
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...
EPLF
The Electron Pair Localization Function (EPLF) helps to understand chemical bonding in molecular systems. This code uses a modified formulation which allows the exact calculation of the EPLF for usual wave functions (HF,KS,CAS,...)

Toxmatch Files

Exploring chemical similarity

Get an email when there's a new version of Toxmatch