B -- Quality Control of Isomeric Chemical Structures in the NIST/NIH/EPA Mass Spectral Library

The National Institute of Standards and Technology, Physical and Chemical Properties Division (PCPD), has a requirement for the extension of the software developed with the last several years and methods for chemical structure identification for the IUPAC International Chemical Identifier and their application to identify compounds in NIST collections where stereochemical or tautomeric information is the name and structure do not precisely match. The contractor shall gather and provide information to efficiently correct the mismatches/discrepancy problems. Additionally, the Contractor shall develop software to find and organize for correction stereochemical and tautomeric discrepancies between chemical names and chemical structures in the Web-book and in the Library. This pertains specifically to compounds with potential stereochemistry and tautomerism in the NIST Chemistry Web-Book (Web-book, http://webbook.nist.gov/chemistry/) and in the NIST/NIH/EPA Mass Spectral Library (Library, http://nist.gov/srd/nist1.htm). There are approximately 250,000 different chemical structures among these two collections. The Contractor shall provide to NIST annotated lists of discrepancies, techniques of their resolution, and produce software and computer files that can be used directly for automatically or manually verifying and correcting name/structure discrepancies in the NIST Web-Book and the Library using the structure-definitions of the NIST developed InChI code. The Contractor shall grant to NIST unlimited rights to the data. Because of the technical and scientific nature of this work, to be considered for award, and to perform work under this contract the Key Personnel must meet the minimum requirements: (a) a degree in chemistry, (b) at least one year experience in computational chemistry, and (c) at least one year experience in molecular design for organic molecules, and d) proficiency in C or C++ for a Windows environment. The competitive Request for Proposal (RFP), specifications, attachments, amendments, and all questions and answers related to this acquisition shall be made available via the Internet at HTTP://WWW.FEDBIZOPPS.GOV under RFQ number SB1341-08-RP-0007. The RFQ is anticipated for release on or about March 10, 2008, and will only be available via the internet at the above web site. Potential offerors are responsible for accessing the web site. Interested parties must respond to the RFP in order to be considered for award of any resultant contract. Telephone requests shall not be honored, and no bidders list shall be maintained. Potential offerors are requested to direct all questions via e-mail to contact@example.gov.