共 16 条
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[Anonymous], 2014, R: A Language and Environment for Statistical Computing
[2]
[Anonymous], 2014, EST PROGR INT SUIT M
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Bergman Arn, 2012, WHO UNEP WHO UN ENV
[4]
Meta-analysis of toxicity and teratogenicity of 133 chemicals from zebrafish developmental toxicity studies
[J].
Ducharme, Nicole A.
;
Peterson, Leif E.
;
Benfenati, Emilio
;
Reif, David
;
McCollum, Catherine W.
;
Gustaffson, Jan-Ake
;
Bondesson, Maria
.
REPRODUCTIVE TOXICOLOGY,
2013, 41
:98-108

Ducharme, Nicole A.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Houston, Ctr Nucl Receptors & Cell Signaling, Dept Biol & Biochem, Houston, TX 77204 USA Univ Houston, Ctr Nucl Receptors & Cell Signaling, Dept Biol & Biochem, Houston, TX 77204 USA

Peterson, Leif E.
论文数: 0 引用数: 0
h-index: 0
机构:
Methodist Hosp, Res Inst, Ctr Biostat, Houston, TX 77030 USA Univ Houston, Ctr Nucl Receptors & Cell Signaling, Dept Biol & Biochem, Houston, TX 77204 USA

Benfenati, Emilio
论文数: 0 引用数: 0
h-index: 0
机构:
Mario Negri Inst Pharmacol Res, Dept Environm Hlth Sci, Milan, Italy Univ Houston, Ctr Nucl Receptors & Cell Signaling, Dept Biol & Biochem, Houston, TX 77204 USA

Reif, David
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA Univ Houston, Ctr Nucl Receptors & Cell Signaling, Dept Biol & Biochem, Houston, TX 77204 USA

McCollum, Catherine W.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Houston, Ctr Nucl Receptors & Cell Signaling, Dept Biol & Biochem, Houston, TX 77204 USA Univ Houston, Ctr Nucl Receptors & Cell Signaling, Dept Biol & Biochem, Houston, TX 77204 USA

Gustaffson, Jan-Ake
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Houston, Ctr Nucl Receptors & Cell Signaling, Dept Biol & Biochem, Houston, TX 77204 USA
Karolinska Inst, Dept Biosci & Nutr, S-14183 Huddinge, Sweden Univ Houston, Ctr Nucl Receptors & Cell Signaling, Dept Biol & Biochem, Houston, TX 77204 USA

Bondesson, Maria
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Houston, Ctr Nucl Receptors & Cell Signaling, Dept Biol & Biochem, Houston, TX 77204 USA Univ Houston, Ctr Nucl Receptors & Cell Signaling, Dept Biol & Biochem, Houston, TX 77204 USA
[5]
The Matthew effect in environmental science publication: A bibliometric analysis of chemical substances in journal articles
[J].
Grandjean, Philippe
;
Eriksen, Mette L.
;
Ellegaard, Ole
;
Wallin, Johan A.
.
ENVIRONMENTAL HEALTH,
2011, 10

Grandjean, Philippe
论文数: 0 引用数: 0
h-index: 0
机构:
Univ So Denmark, Dept Environm Med, Odense, Denmark Univ So Denmark, Dept Environm Med, Odense, Denmark

Eriksen, Mette L.
论文数: 0 引用数: 0
h-index: 0
机构: Univ So Denmark, Dept Environm Med, Odense, Denmark

Ellegaard, Ole
论文数: 0 引用数: 0
h-index: 0
机构: Univ So Denmark, Dept Environm Med, Odense, Denmark

Wallin, Johan A.
论文数: 0 引用数: 0
h-index: 0
机构: Univ So Denmark, Dept Environm Med, Odense, Denmark
[6]
The Toxicity Data Landscape for Environmental Chemicals
[J].
Judson, Richard
;
Richard, Ann
;
Dix, David J.
;
Houck, Keith
;
Martin, Matthew
;
Kavlock, Robert
;
Dellarco, Vicki
;
Henry, Tala
;
Holderman, Todd
;
Sayre, Philip
;
Tan, Shirlee
;
Carpenter, Thomas
;
Smith, Edwin
.
ENVIRONMENTAL HEALTH PERSPECTIVES,
2009, 117 (05)
:685-695

Judson, Richard
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Richard, Ann
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Dix, David J.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Houck, Keith
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Martin, Matthew
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Kavlock, Robert
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Dellarco, Vicki
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Off Pesticide Programs, Off Prevent Pesticides & Tox Subst, Arlington, VA USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Henry, Tala
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Off Pollut Prevent & Tox, Washington, DC 20460 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Holderman, Todd
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Off Pollut Prevent & Tox, Washington, DC 20460 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Sayre, Philip
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Off Pollut Prevent & Tox, Washington, DC 20460 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Tan, Shirlee
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Off Sci Coordinat & Policy, Off Prevent Pesticides & Tox Subst, Washington, DC 20460 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Carpenter, Thomas
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Off Water, Off Ground Water & Drinking Water, Washington, DC 20460 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Smith, Edwin
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Great Lakes Natl Program Off, Chicago, IL USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA
[7]
Aggregating Data for Computational Toxicology Applications: The US Environmental Protection Agency (EPA) Aggregated Computational Toxicology Resource (ACToR) System
[J].
Judson, Richard S.
;
Martin, Matthew T.
;
Egeghy, Peter
;
Gangwal, Sumit
;
Reif, David M.
;
Kothiya, Parth
;
Wolf, Maritja
;
Cathey, Tommy
;
Transue, Thomas
;
Smith, Doris
;
Vail, James
;
Frame, Alicia
;
Mosher, Shad
;
Hubal, Elaine A. Cohen
;
Richard, Ann M.
.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,
2012, 13 (02)
:1805-1831

Judson, Richard S.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Martin, Matthew T.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Egeghy, Peter
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Exposure Res Lab, Res Triangle Pk, NC 27709 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Gangwal, Sumit
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Reif, David M.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Kothiya, Parth
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Wolf, Maritja
论文数: 0 引用数: 0
h-index: 0
机构:
Lockheed Martin, Res Triangle Pk, NC USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Cathey, Tommy
论文数: 0 引用数: 0
h-index: 0
机构:
Lockheed Martin, Res Triangle Pk, NC USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Transue, Thomas
论文数: 0 引用数: 0
h-index: 0
机构:
Lockheed Martin, Res Triangle Pk, NC USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Smith, Doris
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Vail, James
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Frame, Alicia
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Mosher, Shad
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Hubal, Elaine A. Cohen
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA

Richard, Ann M.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA
[8]
In Vitro Screening of Environmental Chemicals for Targeted Testing Prioritization: The ToxCast Project
[J].
Judson, Richard S.
;
Houck, Keith A.
;
Kavlock, Robert J.
;
Knudsen, Thomas B.
;
Martin, Matthew T.
;
Mortensen, Holly M.
;
Reif, David M.
;
Rotroff, Daniel M.
;
Shah, Imran
;
Richard, Ann M.
;
Dix, David J.
.
ENVIRONMENTAL HEALTH PERSPECTIVES,
2010, 118 (04)
:485-492

Judson, Richard S.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Houck, Keith A.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Kavlock, Robert J.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Knudsen, Thomas B.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Martin, Matthew T.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Mortensen, Holly M.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Reif, David M.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Rotroff, Daniel M.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Shah, Imran
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Richard, Ann M.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA

Dix, David J.
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA
[9]
Update on EPA's ToxCast Program: Providing High Throughput Decision Support Tools for Chemical Risk Management
[J].
Kavlock, Robert
;
Chandler, Kelly
;
Houck, Keith
;
Hunter, Sid
;
Judson, Richard
;
Kleinstreuer, Nicole
;
Knudsen, Thomas
;
Martin, Matt
;
Padilla, Stephanie
;
Reif, David
;
Richard, Ann
;
Rotroff, Daniel
;
Sipes, Nisha
;
Dix, David
.
CHEMICAL RESEARCH IN TOXICOLOGY,
2012, 25 (07)
:1287-1302

Kavlock, Robert
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Chandler, Kelly
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA
US EPA, Natl Hlth & Environm Effects Res Lab, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Houck, Keith
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Hunter, Sid
论文数: 0 引用数: 0
h-index: 0
机构: US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Judson, Richard
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Kleinstreuer, Nicole
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Knudsen, Thomas
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Martin, Matt
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Padilla, Stephanie
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Hlth & Environm Effects Res Lab, Off Res & Dev, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Reif, David
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Richard, Ann
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Rotroff, Daniel
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Sipes, Nisha
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA

Dix, David
论文数: 0 引用数: 0
h-index: 0
机构:
US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA
[10]
Integrative Chemical-Biological Read-Across Approach for Chemical Hazard Classification
[J].
Low, Yen
;
Sedykh, Alexander
;
Fourches, Denis
;
Golbraikh, Alexander
;
Whelan, Maurice
;
Rusyn, Ivan
;
Tropsha, Alexander
.
CHEMICAL RESEARCH IN TOXICOLOGY,
2013, 26 (08)
:1199-1208

Low, Yen
论文数: 0 引用数: 0
h-index: 0
机构:
Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, Chapel Hill, NC 27599 USA
Univ N Carolina, Dept Environm Sci & Engn, Chapel Hill, NC 27599 USA
Commiss European Communities, Joint Res Ctr, Inst Hlth & Consumer Protect, Syst Toxicol Unit, I-21027 Ispra, Italy Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, Chapel Hill, NC 27599 USA

Sedykh, Alexander
论文数: 0 引用数: 0
h-index: 0
机构:
Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, Chapel Hill, NC 27599 USA Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, Chapel Hill, NC 27599 USA

Fourches, Denis
论文数: 0 引用数: 0
h-index: 0
机构:
Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, Chapel Hill, NC 27599 USA Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, Chapel Hill, NC 27599 USA

Golbraikh, Alexander
论文数: 0 引用数: 0
h-index: 0
机构:
Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, Chapel Hill, NC 27599 USA Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, Chapel Hill, NC 27599 USA

Whelan, Maurice
论文数: 0 引用数: 0
h-index: 0
机构:
Univ N Carolina, Dept Environm Sci & Engn, Chapel Hill, NC 27599 USA
Commiss European Communities, Joint Res Ctr, Inst Hlth & Consumer Protect, Syst Toxicol Unit, I-21027 Ispra, Italy Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, Chapel Hill, NC 27599 USA

Rusyn, Ivan
论文数: 0 引用数: 0
h-index: 0
机构:
Univ N Carolina, Dept Environm Sci & Engn, Chapel Hill, NC 27599 USA
Commiss European Communities, Joint Res Ctr, Inst Hlth & Consumer Protect, Syst Toxicol Unit, I-21027 Ispra, Italy Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, Chapel Hill, NC 27599 USA

Tropsha, Alexander
论文数: 0 引用数: 0
h-index: 0
机构:
Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, Chapel Hill, NC 27599 USA Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, Chapel Hill, NC 27599 USA