Research
My interested subject is the application of computer in chemistry and biology.
- Three dimensional descriptors
Generalized torsion angles and projection in three-dimensional space etc. derived from molecular structure are used to build a mathematical model to predict the activities/properties of compounds.
- Chiral coupounds research
Chiral descriptors (CICC, CDCC, Extended topological index, and ESD codes) were developed or applied to predict abstract configuration of chiral compounds, pharmacological activities, and other activities or properties of chiral compounds.
- Others
Similarity comparison of DNA sequence, classification of chemical reactions, mutagenicity prediction.
Detail
Database
Programs
- Windows interface for more than 30 kinds of molecular topological indexes - Molecular Topological Indices
- A new driver (One of the participants in this project) for a chemical test machine - MAK-04
- Some statistics methods, such as Leaps and Bounds. (written in VC++ or MatLab)
- Database (access) programming in C++.