Environmentally Conscious Decision-Making
through the use of
Pollution Prevention Assessment Tools

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For additional information contact:
Yongsheng Chen, yschen@mtu.edu, (906) 487-1738 or
John C. Crittenden, jcritt@mtu.edu, (906) 487-2798
Department of Civil & Environmental Engineering, CenCITT
Michigan Technological University, Houghton, MI  49931

Presentation Table of Contents:
Environmentally Conscious Decision-Making Through the Use of Pollution Prevention Assessment Tools
Presentation Overview
PPT Slide
PPT Slide
PPT Slide
Presentation Overview
History / Interaction
Screening-Level Assessment Methods Resulting From PMN Evaluation
Pollution Prevention Partnerships Program (CenCITT + Industry)
We Have Found the P2 Framework Tools to be Most Likely Useful To . . .
Pollution Prevention Assessment Framework Collection of OPPT Assessment Methods
Converting Molecular Structures to a Computer Readable Language
Estimating Physical and Chemical Properties Based on the Molecular Structure of the Compounds
Physical-Chemical Properties Estimated by EPIWIN - a P2 Framework Tool
How Valid is a KOW Estimation ?
Chemical Fate (Estimated with P2 Framework Methods)
Hazard to Humans and Environment (Estimated with P2 Framework Methods)
Estimating Fish Toxicity of Neutral Organic Chemicals Comparison of the Konemann and Veith SARs
SARs Available (3) and Under Development (+)
SARs Available (3) and Under Development (+) (cont.)
SARs Available (3) and Under Development (+) (cont.)
SARs Available (3) and Under Development (+) (cont.)
Structure Activity Relationship Validation Study (EC MPD)*
PPT Slide
OncoLogic - Cancer Expert System
OncoLogic Summary
Critical Factors for SAR Consideration
Overall Structure of The Cancer Expert System
Exposure and/or Risk Assessment (Estimated with P2 Framework Methods)
Exposure Models (Included in P2 Framework)
SEAS - Screening Exposure Assessment Software
Probabilistic Dilution Model Version 3
The Reach File System The Basis of ReachScan
PPT Slide
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Model Availability
Previous and Current Industrial Partners Using the P2 Framework Tools
Presentation Overview
Other Sustainability Expert Systems And Environmental Software Tools Developed by CenCITT and Michigan Technological University
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If You Are Interested in Trying Out These New Pollution Prevention Framework Tools
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P2 Through Tech Transfer
SMILES Representing Atoms
SMILES Notation Representing Bonds
SMILES Bonds in Linear Structures
SMILES Representing Branches
SMILES Representing Branches
SMILES Representing Cyclic Structures
SMILES Representing Cyclic Structures
SMILES Representing Cyclic Structures
SMILES Derivation for Morphine Make Continuous Line Through Structure
SMILES Aromatic Structures
Essential SMILES Rules
Quantitative Structure Activity Relationship (QSAR)
Validation Ratio
Synoptic Tabulation of Structural Requirements for Carcinogenic Activity of 4-Aminobiphenyl and Benzidine Derivatives
OncoLogicŪ Prediction vs. NTP Bioassays Aromatic Amines and Related Compounds
Tank Car Spill Example Application
Tank Car Spill Structures
SMILES Notations for Tank Car Structures
Partial Chemical Property Results
Ecotoxicity Screening Results (using ECOSAR)
Identified chemical hazards
Choosing Between Alternative Dyes
Structures for Two Dye Alternatives
Predicting Cancer Potential Using OncoLogic
Dye Alternative #1 Products
Dye Alternative #2 Products
Cancer Potential Results
Chemical Nomenclature for the Computer A Requirement for Screening-Level Assessment
OPPT Standard Aquatic Ecotoxicity Profile*
SEAS Input
SEAS Output
PDM3 - Required Inputs
ReachScan - Inputs
ReachScan - Outputs
SCIES Input and Output
Consumer Dermal Exposure
Dermal Inputs
Dermal Output
Occupational Exposure Spreadsheets
Pollution Prevention Act
P2 Framework Distinctions
EPA’s New Chemical Program
PPT Slide
Predicting Potential Chemical Carcinogenicity
Benefits of an Expert System
Goals of EPA/OPPT's Cancer Hazard Predictive Expert System