Poster: Intelligent Management of Chemical Warehouse with RFID Systems

Motivation: Discovering drug’s Anatomical Therapeutic Chemical (ATC) classification rules at molecular level is of vital importance to understand a vast majority of drugs action. However, few studies attempt to annotate drug’s potential ATC-codes by ...

Chemical reactions are described by edge relabeling graph transformation rules, in which a substrate chemical graph is transformed into a product chemical graph by breaking existing bonds and creating new bonds between atoms. These edge relabeling graph ...

As is known, atomic and small molecular systems can be realistically simulated with quantum-mechanical models. In complex chemical systems, however, the natural parameters for a description are not only the electronic density and energy but also entropy,...