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WORSE
PRODUCTCOMPO-SITION
CHEMICALSOF
CONCERN
CHEMICALFUNCTIONALITY
EXISTINGALTERNATIVES
R&D
DE NOVOCHEMICALS
STRUCTURESPHYSICAL
CHEMISTRY
CLASSICALIN VIVO
TOXICOLOGYIN VITRO
ADVERSEOUTCOMEPATHWAYS
ENZYMEDATA
TOXICOGENOMICS
DATAANALY-
TICS
DATAGAPS
READ-ACROSS/ QSAR / MOLECULAR TOXICOLOGY
PRELIMINARY SCREENING HAZARD ASSESSMENT
(REGULATORY) HAZARDASSESSMENT
PHYSICALCHEMISTRY
EXPOSUREASSESSMENT
TOXICOLOGYDATA
ECOTOXICOLOGYDATA
(REGULATORY) RISK ASSESSMENT
REGULATORY ANALYSIS
INTERIM
LIFECYCLE
ASSESSMENTSUSTAINABILITY ECONOMICS
ENGINEERINGPERFORMANCE
REGULATORYANALYSIS
ACCEPT
DOCUMENT
IMPLEMENT
FRAMEWORK FORASSESSMENT OF CHEMICALS
GREEN CHEMISTRY AND ENGINEERING CONFERENCEJUNE 14-16, 2016, PORTLAND, OR, USA
Hans Plugge & Longzhu Shen3E Company & Yale University
Bethesda, MD & New Haven, [email protected] & [email protected]
After National Academy of Sciences, 2014
COMPUTATIONAL CHEMISTRY
CHEMINFORMATICS
PROBABILISTIC MODEL
WORSE
BETTER/EQUIVOCAL
BETTER/EQUIVOCAL
YES
NO
NO
YES
NO
