ChIN简介页:ChemTK Lite (QSAR软件)
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ChemTK Lite (QSAR软件)


【作者】 Sage Informatics LLC.

【操作系统】 Windows

【收费情况】  免费

【用途】 ChemTK Lite is a free Windows toolkit providing chemists the ability
to visualize, organize, query, and analyze chemical screening data.
Derived from ChemTK version 2.6, which now features MCS generation,
ChemTK Lite offers all of the functionality of the fully licensed
product, but is intended for data sets of 5000 molecules or less.

Features include:
- Visualization of SD files
- Organization of data by common scaffold
- Calculation of molecular descriptors
- Generation of predictive QSAR models
- Querying by substructure and/or property
- Generation of R tables
- Analysis of data by similarity and diversity
- Calculation of maximum common substructures (MCSs)
- Filtering and virtual screening of external files

Summary by 李晓霞 on 2003-08-07

Last updated by 李晓霞 on 2003-08-07

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