Molecular similarity and risk assessment: Analog SELECTION AND PROPERTY ESTIMATION USING GRAPH INVARIANTS

Subhash C Basak, G. D. Grunwald

Research output: Contribution to journalArticlepeer-review

38 Scopus citations
Original languageEnglish (US)
Pages (from-to)289-307
Number of pages19
JournalSAR and QSAR in environmental research
Volume2
Issue number4
DOIs
StatePublished - Nov 1 1994

Bibliographical note

Funding Information:
The authors are delighted to dedicate this paper to Milan RandiC in appreciation of his pioneering work in chemical graph theory and quantitative structure activity relationships. This is contribution number 126 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.

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