【作者】 Sage Informatics LLC.
【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.
- 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