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Development of a consumer product ingredient database for chemical exposure screening and prioritization

Food and chemical toxicology, 2014-03, Vol.65, p.269-279

2014

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The ToxCast pipeline: updates to curve-fitting approaches and database structure

Frontiers in toxicology, 2023-09, Vol.5, p.1275980-1275980

2023

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An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling

SAR and QSAR in environmental research, 2016-11, Vol.27 (11), p.911-937

2016

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A comprehensive analysis of protein-protein interactions in Saccharomyces cerevisiae

Nature (London), 2000-02, Vol.403 (6770), p.623-627

2000

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Haplotypes of the cholesteryl ester transfer protein gene predict lipid-modifying response to statin therapy

The pharmacogenomics journal, 2003-10, Vol.3 (5), p.284-296

2003

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Evaluating structure-based activity in a high-throughput assay for steroid biosynthesis

Computational toxicology, 2022-11, Vol.24, p.100245-23, Article 100245

2022

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Teaching lasers to control molecules

Physical review letters, 1992-03, Vol.68 (10), p.1500-1503

1992

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Analysis of the genetic algorithm method of molecular conformation determination

Journal of computational chemistry, 1993-11, Vol.14 (11), p.1385-1395

1993

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Profiling Chemicals Based on Chronic Toxicity Results from the U.S. EPA ToxRef Database

Environmental health perspectives, 2009-03, Vol.117 (3), p.392-399

2009

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Do intelligent configuration search techniques outperform random search for large molecules?

International journal of quantum chemistry, 1992-09, Vol.44 (2), p.277-290

1992

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Conformational searching methods for small molecules. II. Genetic algorithm approach

Journal of computational chemistry, 1993-11, Vol.14 (11), p.1407-1414

1993

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Aggregating data for computational toxicology applications: The U.S. Environmental Protection Agency (EPA) Aggregated Computational Toxicology Resource (ACToR) System

International Journal of Molecular Sciences, 2012-02, Vol.13 (2), p.1805-1831

2012

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Profiling the activity of environmental chemicals in prenatal developmental toxicity studies using the U.S. EPA's ToxRefDB

Reproductive toxicology (Elmsford, N.Y.), 2009-09, Vol.28 (2), p.209-219

2009

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Haplotype Variation and Linkage Disequilibrium in 313 Human Genes

Science (American Association for the Advancement of Science), 2001-07, Vol.293 (5529), p.489-493

2001

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Effect of Early Sustained Prophylactic Hypothermia on Neurologic Outcomes Among Patients With Severe Traumatic Brain Injury: The POLAR Randomized Clinical Trial

JAMA : the journal of the American Medical Association, 2018-12, Vol.320 (21), p.2211

2018

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The application of time-dependent wavepacket methods to reactive scattering

Computer physics communications, 1991, Vol.63 (1), p.460-481

1991

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State-to-state rates for the D + H2 (v=1, J=1) → HD(V',j') + H reaction : predictions and measurements

Science (American Association for the Advancement of Science), 1992-07, Vol.257 (5069), p.519-522

1992

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The comparative role of potential structure in classical, semiclassical, and quantum mechanics

The Journal of chemical physics, 1989-02, Vol.90 (4), p.2263-2273

1989

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A comparison between the sensitivity behavior of direct and long-lived classical trajectories and quantum wave packets

The Journal of chemical physics, 1989-02, Vol.90 (4), p.2274-2282

1989

Volltextzugriff (PDF)

A comparison of a direct search method and a genetic algorithm for conformational searching

Journal of computational chemistry, 1996-07, Vol.17 (9), p.1142-1151

1996

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QSAR models for thyroperoxidase inhibition and screening of U.S. and EU chemical inventories

Computational toxicology, 2017-11, Vol.4, p.11-21

2017

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Optimal design of external fields for controlling molecular motion: application to rotation

Journal of molecular structure, 1990-06, Vol.223, p.425-456

1990

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Response to "Accurate Risk-Based Chemical Screening Relies on Robust Exposure Estimates"

Toxicological sciences, 2012-07, Vol.128 (1), p.297-299

2012

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Classical functional sensitivity analysis of coplanar inelastic scattering for H2+H2 and its isotopic analogues

Journal of physical chemistry (1952), 1989-03, Vol.93 (6), p.2400-2411

1989

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A classical functional sensitivity analysis of the collinear F+H2 reaction

The Journal of chemical physics, 1989-02, Vol.90 (4), p.2283-2295

1989

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Development of a consumer product ingredient database for chemical exposure screening and prioritization

The ToxCast pipeline: updates to curve-fitting approaches and database structure

An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling

A comprehensive analysis of protein-protein interactions in Saccharomyces cerevisiae

Haplotypes of the cholesteryl ester transfer protein gene predict lipid-modifying response to statin therapy

Evaluating structure-based activity in a high-throughput assay for steroid biosynthesis

Teaching lasers to control molecules

Analysis of the genetic algorithm method of molecular conformation determination

Profiling Chemicals Based on Chronic Toxicity Results from the U.S. EPA ToxRef Database

Do intelligent configuration search techniques outperform random search for large molecules?

Conformational searching methods for small molecules. II. Genetic algorithm approach

Aggregating data for computational toxicology applications: The U.S. Environmental Protection Agency (EPA) Aggregated Computational Toxicology Resource (ACToR) System

Profiling the activity of environmental chemicals in prenatal developmental toxicity studies using the U.S. EPA's ToxRefDB

Haplotype Variation and Linkage Disequilibrium in 313 Human Genes

Effect of Early Sustained Prophylactic Hypothermia on Neurologic Outcomes Among Patients With Severe Traumatic Brain Injury: The POLAR Randomized Clinical Trial

The application of time-dependent wavepacket methods to reactive scattering

State-to-state rates for the D + H2 (v=1, J=1) → HD(V',j') + H reaction : predictions and measurements

The comparative role of potential structure in classical, semiclassical, and quantum mechanics

A comparison between the sensitivity behavior of direct and long-lived classical trajectories and quantum wave packets

A comparison of a direct search method and a genetic algorithm for conformational searching

QSAR models for thyroperoxidase inhibition and screening of U.S. and EU chemical inventories

Optimal design of external fields for controlling molecular motion: application to rotation

Response to "Accurate Risk-Based Chemical Screening Relies on Robust Exposure Estimates"

Classical functional sensitivity analysis of coplanar inelastic scattering for H2+H2 and its isotopic analogues

A classical functional sensitivity analysis of the collinear F+H2 reaction

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