National Institute of Standards and Technology, Acquisition and Assistance Division, Building 301, Room B117, Gaithersburg, MD

D -- MASS SPECTRAL SEARCH COMPUTER PROGRAMMING SOL 52SBNB7C1005 DUE 101596 POC Keith Kennedy (301) 975-6325/Contracting Officer, Lisa K. Jandovitz (301)975-6344 The National Institute of Standards and Technology (NIST) requires programming support for mass spectral search and prediction. A NIST division is charged, in part, with the development of chemical recognition and prediction software for a NIST laboratory. To fulfill these requirements, NIST seeks programming support for two closely related projects. These projects are: I. the development of version 2.0 of the NIST Mass Spectral Search Program for Windows and, II. the development of software for the prediction of substructures present in molecules, based on the mass spectra. The development of this software shall conform to industry standard coding practices. The contractor shall fully compile the software under both 16 and 32 bit versions of the MS Windows operating system. To conform with other NIST programs, the contractor shall develop the program using only the basic software development kit (SDK) for Windows or the Microsoft Foundation Classes (MFC) and c-tree database tools. The contractor shall accomplish the following specific tasks: A. Develop the next version of the NIST Mass Spectral Search Program under Windows. B. Develop software for th extension of the NIST algorithms for statistical prediction of substructures present in a molecule based on the mass spectra. This task has two parts: 1. elaboration on existing NIST algorithms for predicting substructures from mass spectra and 2. developing a MS-Windows based interface to display the results. Like task one, the contractor shall develop the program in 16 and 32 bit MS-Windows environment sing the SDK or MFC and c-tree. The contractor shall use a substantial existing base code in all projects; NIST has considered the need to understand and expand on current code while developing these specific requirements. Offeror programmer requirements include: For both tasks, A. demonstrated experience in developing programs for MS-Windows; B. demonstrated experience developing programs using SDK or MFC in a MS-Windows (16 and 32 bit) environment; C. demonstrated experience using CTREE database code at a low level; D. contractor publications and formal credentials that demonstrate an extensive background in chemistry to fully understand the nature of the problems; E. for task one, at least a minimal background in the XVT programming system. The current vision of the NIST program was written using this tool--the conversion will require understanding the current program; F. for task two, demonstrated experience in computer processing of chemical structure information using connection tables and identifying substructures within the structure and an extensive background in statistical analysis of correlations; In all cases, the contractor shall demonstrate experience by working programs. The contractor shall submit sample code associated with the programs to evaluate the overall quality of past work. The estimated level of effort is 1.5 staff years per year. NIST anticipates a basic period of performance of one year plus a single option year period of performance. The proposed contract is 100% set aside for small business concerns. FOB destination. One job. See Notes 1 and 26. (0242)

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