Works (9)

Updated: April 11th, 2023 10:13

2019 journal article

Cheminformatics approach to exploring and modeling trait-associated metabolite profiles

JOURNAL OF CHEMINFORMATICS, 11.

author keywords: Metabolomics; Data mining; Cheminformatics; Molecular fragmentation; Statistics; Visualization; Chemical structure
Source: Web Of Science
Added: July 15, 2019

2019 journal article

Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen

NATURE COMMUNICATIONS, 10.

By: M. Menden*, D. Wang*, M. Mason*, B. Szalai*, K. Bulusu*, Y. Guan*, T. Yu*, J. Kang* ...

Source: Web Of Science
Added: July 1, 2019

2019 journal article

Identifying individual risk rare variants using protein structure guided local tests (POINT)

PLOS COMPUTATIONAL BIOLOGY, 15(2).

By: R. West n, W. Lu, D. Rotroff*, M. Kuenemann, S. Chang*, M. Wu*, M. Wagner*, J. Buse* ...

Source: Web Of Science
Added: March 25, 2019

2018 journal article

Cheminformatics analysis of dynamic WNK-inhibitor interactions

Molecular Informatics, 37(6-7).

By: M. Kuenemann & D. Fourches

Source: NC State University Libraries
Added: August 6, 2018

2018 journal article

Confirmation of high-throughput screening data and novel mechanistic insights into VDR-xenobiotic interactions by orthogonal assays

Scientific Reports, 8.

By: D. Mahapatra, J. Franzosa, K. Roell, M. Kuenemann, K. Houck, D. Reif, D. Fourches, S. Kullman

Source: NC State University Libraries
Added: August 6, 2018

2018 journal article

In silico predicted glucose-1-phosphate Uridylyltransferase (GalU) inhibitors block a key pathway required for Listeria virulence

Molecular Informatics, 37(6-7).

By: M. Kuenemann, P. Spears, P. Orndorff & D. Fourches

Source: NC State University Libraries
Added: August 6, 2018

2018 journal article

Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 1. Database Development and Analysis

ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 6(2), 2344–2352.

By: T. Williams, M. Kuenemann, G. Driessche n, A. Williams*, D. Fourches & H. Freeman

author keywords: Cheminformatics; Hair dyes; HDSD; Mutagenicity; Skin sensitization; Sustainability
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

Cheminformatics modeling of amine solutions for assessing their CO2 absorption properties

Molecular Informatics, 36(7).

By: M. Kuenemann & D. Fourches

Source: NC State University Libraries
Added: August 6, 2018

2017 journal article

Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis

CHEMICAL SCIENCE, 8(6), 4334–4339.

By: M. Kuenemann, M. Szymczyk, Y. Chen, N. Sultana, D. Hinks, H. Freeman, A. Williams*, D. Fourches, N. Vinueza n

Sources: Web Of Science, ORCID
Added: August 6, 2018