Development of Nearest Neighbor Classifiers Identifying Dermal Sensitizers Based on a Local Lymph Node Assay Database

Details

• Personal Author:
  Fedorowicz A ; Li S
• Description:
  K Nearest Neighbor classifiers were developed to predict skin sensitization of a new chemical based on a murine local lymph node assay database of 178 organic chemicals. Two filters were compared for preselection of molecular descriptors. The Fisher's Discriminant Ratio filter picked a subset of descriptors which turn out to be more discriminatory than those picked by the t-test filter. Then, a step forward search method was implemented to screen out extra descriptors and simplify the classifiers based on leave one-out accuracy. Euclidean and Mahalanobis distance metrics were also examined and the results showed the Mahalanobis distance was appropriate for this study. The 3-nearest neighbor classifier of 13 descriptors singled out by the above methods has an especially balanced performance with sensitivity of 92% and specificity of 81 % for this unbalanced dataset. [Description provided by NIOSH]
• Subjects:
  Occupational Health Safety
• Keywords:
  Mathematical-models Sampling Sampling-methods Simulation-methods Statistical-analysis
• Publisher:
  American Statistical Association
• Document Type:
  Text
• Genre:
  Proceedings
• Place as Subject:
  OSHA Region 3 ; West Virginia
• CIO:
  National Institute for Occupational Safety and Health (NIOSH)
• Division:
  HELD - Health Effects Laboratory Division
• Topic:
  Workplace Safety & Health
• Location:
  North America
• NIOSHTIC Number:
  nn:20033174
• Citation:
  Statistics: Harnessing the Power of Information. 2007 JSM Proceedings. Papers Presented at the Joint Statistical Meetings Salt Lake City, Utah, July 29 - August 2, 2007, and other ASA-sponsored conferences. Alexandria, VA: American Statistical Association, 2007 Jul; :CD-ROM
• Federal Fiscal Year:
  2007
• Peer Reviewed:
  False
• Source Full Name:
  Statistics: Harnessing the Power of Information. 2007 JSM Proceedings. Papers Presented at the Joint Statistical Meetings Salt Lake City, Utah, July 29 - August 2, 2007, and other ASA-sponsored conferences
• End Date:
  20050929
• Collection(s):
  National Institute for Occupational Safety and Health
• Main Document Checksum:
  urn:sha-512:6527d5aec997b3f823be2df604f21ad9ce61851e93b7af7b9ea201f3b046e19dc734e068ffa0530372105579edc37a31b9f1772c351aca8e50214dc7170bc87c
• Download URL:
  https://stacks.cdc.gov/view/cdc/188852/cdc_188852_DS1.pdf
• File Type:
  [PDF - 1.50 MB ]