More of EPA's SPARC Online Calculator-The Need for High-Quality Predictions of Chemical Properties

被引：18

作者：

Arp, Hans Peter H. ^{[1
]}

Droge, Steven T. J. ^{[2
]}

Endo, Satoshi ^{[2
]}

Giger, Walter ^{[3
,4
]}

Goss, Kai-Uwe ^{[2
]}

Hawthorne, Steven B. ^{[5
]}

Mabury, Scott A. ^{[6
]}

Mayer, Philipp ^{[7
]}

Mclachlan, Michael S. ^{[8
]}

Pankow, James F. ^{[9
]}

Schwarzenbach, Rene P. ^{[10
]}

Wania, Frank ^{[11
]}

Xing, Baoshan ^{[12
]}

机构：

[1] Norwegian Geotech Inst, Oslo, Norway

[2] UFZ Helmholtz Ctr Environm Res, Leipzig, Germany

[3] Swiss Fed Inst Aquat Sci & Technol EAWAG, Dubendorf, Switzerland

[4] GRC, Zurich, Switzerland

[5] Univ N Dakota, Energy & Environm Res Ctr, Grand Forks, ND 58202 USA

[6] Univ Toronto, Toronto, ON M5S 1A1, Canada

[7] Aarhus Univ, Roskilde, Denmark

[8] Stockholm Univ, Stockholm, Sweden

[9] Portland State Univ, Portland, OR 97207 USA

[10] Swiss Fed Inst Technol, Stockholm, Sweden

[11] Univ Toronto Scarborough, Scarborough, ON, Canada

[12] Univ Massachusetts, Amherst, MA 01003 USA

来源：

ENVIRONMENTAL SCIENCE & TECHNOLOGY | 2010年 / 44卷 / 12期

关键词：

ORGANIC-COMPOUNDS;

D O I：

10.1021/es100437g

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

引用

页码：4400 / 4401

页数：2

共 5 条

[1]

[Anonymous], PUBLICATION US ENV P

[2] Ambient Gas/Particle Partitioning. 3. Estimating Partition Coefficients of Apolar, Polar, and Ionizable Organic Compounds by Their Molecular Structure [J].

Arp, Hans Peter H. ;

Goss, Kai-Uwe .

ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2009, 43 (06) :1923-1929

[3] Estimating the vapor pressures of multi-functional oxygen-containing organic compounds using group contribution methods [J].

Asher, WE ;

Pankow, JF ;

Erdakos, GB ;

Seinfeld, JH .

ATMOSPHERIC ENVIRONMENT, 2002, 36 (09) :1483-1498

[4] In Silico Prediction of Aqueous Solubility: The Solubility Challenge [J].

Hewitt, M. ;

Cronin, M. T. D. ;

Enoch, S. J. ;

Madden, J. C. ;

Roberts, D. W. ;

Dearden, J. C. .

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2009, 49 (11) :2572-2587

[5] Comparison of Nine Programs Predicting pKa Values of Pharmaceutical Substances [J].

Liao, Chenzhong ;

Nicklaus, Marc C. .

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2009, 49 (12) :2801-2812

← 1 →