Cheminformatics

In the pilot phase of Molecular Libraries, Exploratory Centers for Cheminformatics Research (ECCRs) were awarded to support the investigation of new approaches to cheminformatics research (particularly as related to the implementation of the MLSCN and PubChem database) through the development of collaborative and diverse investigator teams.

The MLII implementation group initially anticipated that formation of such research teams and the generation of preliminary results under these awards would lead to proposals for NIH P50 Centers for Cheminformatics Research to follow in 2008; however, these P50 centers for Cheminformatics Research will not be formed for the MLPCN (production phase).

Data Sharing

A software sharing and dissemination plan was a condition of the Exploratory Center for Cheminformatics Research awards. There is no prescribed single license for software produced in this project. However, NIH expects each Center to adopt the following guidelines

o The software should be freely available to biomedical researchers and educators in the non-profit sector, such as institutions of education, research institutions, and government laboratories.

o The terms of software availability should permit the commercialization of enhanced or customized versions of the software, or incorporation of the software or pieces of it into other software packages.

o The terms of software availability should include the ability of researchers outside the Center and its collaborating projects to modify the source code and to share modifications with other colleagues as well as with the Center. A Center should take responsibility for creating the original and subsequent “official” versions of a piece of software, and should provide a plan to manage the dissemination or adoption of improvements or customizations of that software by others. This plan should include a method to distribute other user’s contributions such as extensions, compatible modules, or plug-ins.

More Information

For further information about the Exploratory Centers for Cheminformatics Research (P20) RFA, please see RFA-RM-05-012

Please see the left menu for information on the ECCRs funded for the pilot phase of the Molecular Libraries Initiative.

Note: This Cheminformatics Technology Development Initiative will not continue into the Production Phase of Molecular Libraries, so there are no current funding opportunities available.