Proceedings of the Symposium on Chemoinformatics
40th Symposium on Chemoinformatics, Yamaguchi
Conference information

Poster Session
Classification of organic molecules based on electronic analogy: Application of electronic-structure informatics
*Akihiro YamanouchiManabu Sugimoto
Author information
CONFERENCE PROCEEDINGS FREE ACCESS

Pages P15-

Details
Abstract
We are developing electronic-structure informatics to evaluate molecular similarity by using electronic structure calculation. In this presentation, we report classification of organic molecules and investigation on scaffold hopping by using the present method.
Content from these authors
Previous article Next article
feedback
Top