Search Results for "property"

DataPrep v0.2 is a Tkinter-based GUI application/tool designed to assist users in data preprocessing, multicollinearity removal, and feature selection for a wide range of applications in Cheminformatics, Bioinformatics, Data Analysis, Feature Selection, Molecular Modeling, Machine Learning, and Quantitative-structure-property relationship (QSPR) studies. It includes functionality to load, process, and save datasets with support for different preprocessing & multicollinearity removal strategies with customizable parameter setting options.

...These extensions allow to use of toolkits at all its grace and some features may be backported from others to introduce missing functionalities. Most important and handy property of Molecule in ODDT are Numpy dictionaries containing most properties of supplied molecule. Some of them are straightforward, other require some calculation, ie. atom features. Dictionaries are provided for major entities of molecules.

A general OWL reasoning framework for the analysis of big biomedical data and implement a MapReduce-based property chain reasoning prototype system. OWL reasoning method is ideally suitable for problems involved complex semantic associations because it is able to infer logical consequences based on a set of asserted rules or axioms. MapReduce framework isused to solve the problem of scalability. In our experiment, we focus on the discovery of associations between Traditional Chinese Medicine (TCM) and Western Medicine (WM).

...The modules can be used to build custom tools and pipelines, whereas the scripts provide basic executable implementations based on the modules. SVMlight, SIFT, Polyphen2, SNPs&GO and Mutation Assessor are the property of their respective authors and institutions and are not distributed in this package.

QSAR is a project that aims to build a GUI that enables people to build quantitative structure activity (or property) relationship models. It will use parts of CDK (cdk.sf.net), JOELib (joelib.sf.net), R (www.r-project.org) and other projects.

mySQL db app that stores chemical structures, calc. descriptors and property values. It has a descriptor calculator and a method that filters descriptors correlated with property values. Easy to plug-in your descriptor calc. Ideal for QSAR specialists!

SPAS (Structure Property Analysis Software) is a Quantitative Structure-Property Relationship (QSPR) software.