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The Density-functional theory(DFT) should be the most popular approach that used in computational physics or computation......
OrangeModeling - a tool for machine learning based quantitative structure-property relationship mode
Machine learning methods for constructing quantitative structure-activity relationship(QSAR)or quantitative structure-pr......
A High-Performance and Flexible Chemical Structure & Data Search Engine Built on CouchDB & ElasticSe
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Computer-assisted chemical structure searching plays a critical role for efficient structure screening in cheminformatic......
The polar surface area of a molecule is currently defined as the surface sum over all polar atoms, primarily oxygen and ......
Medicinal Organometallic Chemistry keeps contributing to drug discovery efforts including the development of diagnostic ......
