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CS-Miner stands for Chemical Space Miner and is a software tool for navigating in chemical space of compound databases. It helps for deriving appropriate classification models and performing virtual screening.
Download it via:
http://csminer.com/csm/?p=7
A quick tutorial is available through:
http://csminer.com/csm/?p=8
Free Organic Chemistry Analysis and Visualisation Tool; Chemical formula editor, calculation of threedimensional molecular structures, high-quality realtime rendering, ...
This project was inspired existing cheminformatics APIs such as the CDK, Marvin, and Frowns. The goal of the project is to produce a full featured cheminfo api for the .Net framework. Early stage dev will focus on data structures and classes for file io.
LSG is a Windows application framework designed for visual data integration and based on Microsoft .NET 2.0 and CAB. An admin utility manages LSG apps, modules, events, and services, and a client integrates the modules and provides functionality hooks.
MSQuant is a tool for quantitative proteomics/mass spectrometry and processes
spectra and LC runs to find
quantitative information about proteins and peptides. Though
automated it also allows manual inspection and change.