A novel approach using hierarchical clustering to select industrial chemicals for environmental impact assessment.
We propose a four-step strategy, based on principal component analysis and hierarchical clustering, for selecting structurally dissimilar organic substances from a list of commercial, high volume production chemicals. The selection strategy also presents alternative structures with similar characteristics, so that practical aspects of future testing can be easily addressed. The selected compounds listed in this Article are intended for further study regarding their environmental impact and as potential pollutants.
Rännar
Stefan
S
Department of Chemistry, Umea University, SE-90187 Umea, Sweden.
Andersson
Patrik L
PL
D016000:Cluster Analysis; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D004777:Environment; D004785:Environmental Pollutants / Q000737:chemistry* / Q000191:economics / Q000633:toxicity*; D007221:Industry / Q000191:economics; D025341:Principal Component Analysis
D004785:Environmental Pollutants