Database

OCLEOT database is a MongoDB database. As OCELOT is on crystalline materials, structures in OCELOT are either extracted from the Cambridge Structural Database (CSD) or were provided by several synthetic chemistry collaborators. The identifiers have a prefix csd_ followed by CCDC ID for structures from CSD. For structures from collaborators have a prefix com_ followed by their ID. The database is modularized into crystal, molecule and chromophore. The descriptors-based schema for each module is in the following sections.