Computer Identification of Unknown Spectra (Chemistry)
{'Code': '03090007', 'Directorate': {'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'LongName': 'Division Of Chemistry'}}
{'SignBlockName': None}
This project is in the area of data development and utilization                 and involves a collaborative effort with Chemical Abstracts                     Service (CAS) on further improvements in accuracy and speed in                  computer programs for identification of unknown compounds from                  their mass and infrared spectra.  These programs are the                        retrieval algorithm "Probability Based Matching (PBM)" and the                  interpretive algorithm "Self-Training Interpretive and                          Retrieval System (STIRS)".  Of particular importance will be                    comprehensive and efficient utilization of a new data base of                   around 130,000 different mass spectra.  The highest performance                 PBM and STIRS programs will be developed with CAS, taking                       advantage of their extensive experience in computer structure                   manipulation and their complete files of connection-table                       structure descriptions, for ultimate use on their international                 on-line service, STN.  PBM for on-line GC/MS will be made far                   more efficient with data base compression, pre-filter                           techniques, vector formulation, and use of array processor                      chips.  PBM and STIRS accuracy will be improved by exact mass                   data available from high resolution GC/MS instruments and                       structural information from infrared spectrometers.  STIRS will                 also be improved through computer identification of maximal                     structure descriptions of the best matching compounds.
{'FirstName': 'Fred', 'LastName': 'McLafferty', 'EmailAddress': None, 'StartDate': '08/01/1987', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'Cornell University', 'CityName': 'Ithaca', 'ZipCode': '148502820', 'PhoneNumber': '6072555014', 'StreetAddress': '373 Pine Tree Road', 'CountryName': 'United States', 'StateName': 'New York', 'StateCode': 'NY'}
[{'Code': '1974', 'Text': 'ANALYTICAL SEPARATIONS & MEAS.'}, {'Code': '1978', 'Text': 'PROJECTS'}]
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1986&All=true', 'xml': '8620293.xml'}