Tolerance space and molecular similarity

Subhash C Basak, G. D. Grunwald

Research output: Contribution to journalArticlepeer-review

46 Scopus citations
Original languageEnglish (US)
Pages (from-to)265-277
Number of pages13
JournalSAR and QSAR in environmental research
Issue number4
StatePublished - Oct 1 1995

Bibliographical note

Funding Information:
The authors are grateful to Pr. Milan Randii: for his review of the research reported in this paper. This is contribution number 138 from the Center for Water and the Environment of the Natural Resources Research Institute. Research reported in this paper was supported, in part, by cooperative agreement CR 819621 from the United States Environmental Protection Agency, by grant F49620-94-1-0401 from the United States Air Force, Exxon Biomedical Sciences, Inc., and the Structure-Activity Relationship Consortium (SARCON) of the Natural Resources Research Institute at the University of Minnesota.


  • K nearest neighbor estimation
  • boiling point
  • molecular similarity
  • mutagenicity
  • risk assessment
  • tolerance space

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