Classification of Environmentally Occurring Chemicals Using Structural Fragments and PLS Discriminant Analysis
- 30 July 1997
- journal article
- Published by American Chemical Society (ACS) in Environmental Science & Technology
- Vol. 31 (8) , 2313-2318
- https://doi.org/10.1021/es9609213
Abstract
No abstract availableThis publication has 5 references indexed in Scilit:
- Fast screening of large databases using clustering and PCA based on structure fragmentsJournal of Chemometrics, 1996
- An Investigation of Clustering as a Tool in Quantitative Structure-Activity Relationships (QSARS)SAR and QSAR in Environmental Research, 1995
- Molecular Similarity and Risk Assessment: Analog Selection and Property Estimation Using Graph InvariantsSAR and QSAR in Environmental Research, 1994
- Clustering of chemical structures on the basis of two-dimensional similarity measuresJournal of Chemical Information and Computer Sciences, 1992
- Principal component analysisChemometrics and Intelligent Laboratory Systems, 1987