Historically chemical modeling has operated as an interactive service center. Chemical information is customarily distributed within the department and this leads to delayed results and occasionally data loss. ChemDB is a next-generation platform for chemical informatics empowering real-time collaboration and global accessibility. Incorporating the capability for automated execution of scientific software accelerates discovery and enforces best-practises for simulation workflows. Web-based access allows for real-time collaboration and access to a broadly expanded user base within an organization.

ChemDB: Web-accessible database for the automation of computation simulations, curation, and analysis of large materials libraries

251st National Meeting (2016)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.