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Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling?

Journal of chemical information and modeling, 2012-10, Vol.52 (10), p.2570-2578

2012

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Quantitative Structure−Activity Relationship Modeling of Rat Acute Toxicity by Oral Exposure

Chemical research in toxicology, 2009-12, Vol.22 (12), p.1913-1921

2009

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Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

Journal of chemical information and modeling, 2010-12, Vol.50 (12), p.2094-2111

2010

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Prediction of Aquatic Toxicity Mode of Action Using Linear Discriminant and Random Forest Models

Journal of chemical information and modeling, 2013-09, Vol.53 (9), p.2229-2239

2013

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“If Chemists Don’t Do It, Who Is Going To?” Peer-driven Occupational Change and the Emergence of Green Chemistry

Administrative science quarterly, 2017-09, Vol.62 (3), p.524-560

2017

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Estimation of Environment-Related Properties of Chemicals for Design of Sustainable Processes: Development of Group-Contribution+ (GC+) Property Models and Uncertainty Analysis

Journal of chemical information and modeling, 2012-11, Vol.52 (11), p.2823-2839

2012

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Prediction of the Acute Toxicity (96-h LC50) of Organic Compounds to the Fathead Minnow (Pimephales promelas) Using a Group Contribution Method

Chemical research in toxicology, 2001-10, Vol.14 (10), p.1378-1385

2001

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Precursors to dinitrogen reduction: structures and reactivity of trans-[Fe(DMeOPrPE)2(eta(2)-H2)H]+ and trans-[Fe(DMeOPrPE)2(N2)H]

Dalton transactions : an international journal of inorganic chemistry, 2009-01 (42), p.9253-9259

2009

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Addition of Cl2C: to (−)-O-Menthyl Acrylate under Sonication−Phase-Transfer Catalysis. Efficient Synthesis of (+)- and (−)-(2-Chlorocyclopropyl)methanol

Journal of organic chemistry, 2005-05, Vol.70 (10), p.4162-4165

2005

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Exploring the Use of Ecological Footprint in Life Cycle Impact Assessment: Findings from a Comparison of Transportation Fuels

Journal of industrial ecology, 2015-06, Vol.19 (3), p.416-426

2015

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A Hierarchical Clustering Methodology for the Estimation of Toxicity

Toxicology mechanisms and methods, 2008-01, Vol.18 (2-3), p.251-266

2008

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Exploring the Use of Ecological Footprint in Life Cycle Impact Assessment

Journal of industrial ecology, 2015-06, Vol.19 (3), p.416-426

2015

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Biotransformation of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) by a prospective consortium and its most effective isolate Serratia marcescens

Biotechnology and bioengineering, 1997-03, Vol.53 (5), p.515-522

1997

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Green Synthesis of a Fluorescent Natural Product

Journal of chemical education, 2011-03, Vol.88 (3), p.319-321

2011

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Correlation of the glass transition temperature of plasticized PVC using a lattice fluid model

Polymer (Guilford), 2003-07, Vol.44 (16), p.4747-4754

2003

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"If Chemist Don't Do It, Who Is Going To?" Occupational Change and the Emergence of Green Chemistry

Administrative science quarterly, 2017-09, Vol.62 (3), p.524-560

2017

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Prediction of growth and biotransformation rates of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in the presence of barium

Applied microbiology and biotechnology, 2005-08, Vol.68 (3), p.376-383

2005

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Life Cycle Assessment of Gasoline Blending Options

Environmental science & technology, 2003-08, Vol.37 (16), p.3724-3732

2003

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Designing sustainable processes with simulation: the waste reduction (WAR) algorithm

Computers & chemical engineering, 1999-12, Vol.23 (10), p.1477-1491

1999

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QSAR Modeling of Rat Acute Toxicity by Oral Exposure

Chemical research in toxicology, 2009-12, Vol.22 (12), p.1913-1921

2009

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Evaluating the environmental friendliness, economics and energy efficiency of chemical processes: heat integration

Clean technologies and environmental policy, 2003-10, Vol.5 (3-4), p.302-309

2003

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Designing Sustainable Supply Chains

Chemical engineering transactions, 2012-01, Vol.29

2012

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Defining Dental Caries for 2010 and Beyond

The Dental clinics of North America, 2010-07, Vol.54 (3), p.423-440

2010

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Explorations of cascading Michael additions

Young, Douglas M

2011

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ProQuest

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

Journal of chemical information and modeling, 2010, Vol.50 (12), p.2094-2111

2010

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Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling?

Quantitative Structure−Activity Relationship Modeling of Rat Acute Toxicity by Oral Exposure

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

Prediction of Aquatic Toxicity Mode of Action Using Linear Discriminant and Random Forest Models

“If Chemists Don’t Do It, Who Is Going To?” Peer-driven Occupational Change and the Emergence of Green Chemistry

Estimation of Environment-Related Properties of Chemicals for Design of Sustainable Processes: Development of Group-Contribution+ (GC+) Property Models and Uncertainty Analysis

Prediction of the Acute Toxicity (96-h LC50) of Organic Compounds to the Fathead Minnow (Pimephales promelas) Using a Group Contribution Method

Precursors to dinitrogen reduction: structures and reactivity of trans-[Fe(DMeOPrPE)2(eta(2)-H2)H]+ and trans-[Fe(DMeOPrPE)2(N2)H]

Addition of Cl2C: to (−)-O-Menthyl Acrylate under Sonication−Phase-Transfer Catalysis. Efficient Synthesis of (+)- and (−)-(2-Chlorocyclopropyl)methanol

Exploring the Use of Ecological Footprint in Life Cycle Impact Assessment: Findings from a Comparison of Transportation Fuels

A Hierarchical Clustering Methodology for the Estimation of Toxicity

Exploring the Use of Ecological Footprint in Life Cycle Impact Assessment

Biotransformation of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) by a prospective consortium and its most effective isolate Serratia marcescens

Green Synthesis of a Fluorescent Natural Product

Correlation of the glass transition temperature of plasticized PVC using a lattice fluid model

"If Chemist Don't Do It, Who Is Going To?" Occupational Change and the Emergence of Green Chemistry

Prediction of growth and biotransformation rates of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in the presence of barium

Life Cycle Assessment of Gasoline Blending Options

Designing sustainable processes with simulation: the waste reduction (WAR) algorithm

QSAR Modeling of Rat Acute Toxicity by Oral Exposure

Evaluating the environmental friendliness, economics and energy efficiency of chemical processes: heat integration

Designing Sustainable Supply Chains

Defining Dental Caries for 2010 and Beyond

Explorations of cascading Michael additions

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

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