PubChem is a public data repository specialized in the field of chemical information, bioactivity data for tested chemical substances and more. PubChem’s upload system accepts several chemical structure annotations format including SDF (mol), smiles, and InChI string. The system archives all original chemical structure drawing, known as substance, and at the same time to standardize all chemical entities into compounds which are unique in PubChem’s compound database. PubChem allows users to deposit chemical records, and provides structure search functionality to search the whole database and/or subsets. This presentation will discuss the various chemical structure upload methods and searching hints.

Deposit chemical structures into PubChem - a public data repository

255th National Meeting (2018)

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