OCHEM (http://ochem.eu) provides unprecedented opportunities for open science and collaborative work in chemical sciences. It supports advanced tools to store, edit and share chemical information. The features include hidden and public data, automatic unit conversion, detection of duplicates, identification of the primary source of publication of a given piece of information, automatic verification of structures and names of molecules, batch upload, editing and exporting of thousands of records simultaneously. The database is tightly connected with the data modeling framework allowing development of models with hundreds thousands molecules and their applications to screen new molecules. A recent introduction of data moderators and peer-reviewing process has dramatically contributed to the quality of the data.  The integration of OCHEM with ELN can be performed through web services and automatized workflows, such as KNIME or Pipeline Pilot.  The use of OCHEM within the Open Notebook Science projects will be presented.  Actually, OCHEM is such the project.

Online CHEmical Modeling environment (OCHEM) is an innovative open collaborative platform for chemistry

244th National Meeting (2012)

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