Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling? von Martin, Todd M, Harten, Paul, Young, Douglas M, Muratov, Eugene N, Golbraikh, Alexander, Zhu, Hao, Tropsha, Alexander

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Quantitative Structure−Activity Relationship Modeling of Rat Acute Toxicity by Oral Exposure von Zhu, Hao, Martin, Todd M, Ye, Lin, Sedykh, Alexander, Young, Douglas M, Tropsha, Alexander

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Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set von Sushko, Iurii, Novotarskyi, Sergii, Körner, Robert, Pandey, Anil Kumar, Cherkasov, Artem, Li, Jiazhong, Gramatica, Paola, Hansen, Katja, Schroeter, Timon, Müller, Klaus-Robert, Xi, Lili, Liu, Huanxiang, Yao, Xiaojun, Öberg, Tomas, Hormozdiari, Farhad, Dao, Phuong, Sahinalp, Cenk, Todeschini, Roberto, Polishchuk, Pavel, Artemenko, Anatoliy, Kuz’min, Victor, Martin, Todd M, Young, Douglas M, Fourches, Denis, Muratov, Eugene, Tropsha, Alexander, Baskin, Igor, Horvath, Dragos, Marcou, Gilles, Muller, Christophe, Varnek, Alexander, Prokopenko, Volodymyr V, Tetko, Igor V

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Prediction of Aquatic Toxicity Mode of Action Using Linear Discriminant and Random Forest Models von Martin, Todd M, Grulke, Christopher M, Young, Douglas M, Russom, Christine L, Wang, Nina Y, Jackson, Crystal R, Barron, Mace G

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“If Chemists Don’t Do It, Who Is Going To?” Peer-driven Occupational Change and the Emergence of Green Chemistry von Howard-Grenville, Jennifer, Nelson, Andrew J., Earle, Andrew G., Haack, Julie A., Young, Douglas M.

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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 von Hukkerikar, Amol Shivajirao, Kalakul, Sawitree, Sarup, Bent, Young, Douglas M, Sin, Gürkan, Gani, Rafiqul

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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 von Martin, Todd M, Young, Douglas M

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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] von Crossland, Justin L, Young, Douglas M, Zakharov, Lev N, Tyler, David R

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Addition of Cl2C:  to (−)-O-Menthyl Acrylate under Sonication−Phase-Transfer Catalysis. Efficient Synthesis of (+)- and (−)-(2-Chlorocyclopropyl)methanol von Masuno, Makoto N, Young, Douglas M, Hoepker, Alexander C, Skepper, Colin K, Molinski, Tadeusz F

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Exploring the Use of Ecological Footprint in Life Cycle Impact Assessment: Findings from a Comparison of Transportation Fuels von Lee, Seung‐Jin, Hawkins, Troy R., Ingwersen, Wesley W., Young, Douglas M.

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A Hierarchical Clustering Methodology for the Estimation of Toxicity von Martin, Todd M., Harten, Paul, Venkatapathy, Raghuraman, Das, Shashikala, Young, Douglas M.

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Exploring the Use of Ecological Footprint in Life Cycle Impact Assessment von Lee, Seung-Jin, Hawkins, Troy R., Ingwersen, Wesley W., Young, Douglas M.

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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 von Young, Douglas M., Unkefer, Pat J., Ogden, Kimberly L.

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Green Synthesis of a Fluorescent Natural Product von Young, Douglas M., Welker, Jacob J. C., Doxsee, Kenneth M.

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Correlation of the glass transition temperature of plasticized PVC using a lattice fluid model von Martin, Todd M., Young, Douglas M.

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"If Chemist Don't Do It, Who Is Going To?" Occupational Change and the Emergence of Green Chemistry von Howard-Grenville, Jennifer, Nelson, Andrew J., Earle, Andrew G., Haack, Julie A., Young, Douglas M.

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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 von YOUNG, Douglas M, YOUNG, Karen, OGDEN, Kimberly L

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Life Cycle Assessment of Gasoline Blending Options von Mata, Teresa M, Smith, Raymond L, Young, Douglas M, Costa, Carlos A. V

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Designing sustainable processes with simulation: the waste reduction (WAR) algorithm von Young, Douglas M., Cabezas, Heriberto

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QSAR Modeling of Rat Acute Toxicity by Oral Exposure von Zhu, Hao, Martin, Todd M., Ye, Lin, Sedykh, Alexander, Young, Douglas M., Tropsha, Alexander

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