@article{ash_kuenemann_rotroff_motsinger-reif_fourches_2019, title={Cheminformatics approach to exploring and modeling trait-associated metabolite profiles}, volume={11}, ISSN={["1758-2946"]}, DOI={10.1186/s13321-019-0366-3}, journal={JOURNAL OF CHEMINFORMATICS}, author={Ash, Jeremy R. and Kuenemann, Melaine A. and Rotroff, Daniel and Motsinger-Reif, Alison and Fourches, Denis}, year={2019}, month={Jun} } @article{menden_wang_mason_szalai_bulusu_guan_yu_kang_jeon_wolfinger_et al._2019, title={Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen}, volume={10}, ISSN={["2041-1723"]}, DOI={10.1038/s41467-019-09799-2}, journal={NATURE COMMUNICATIONS}, author={Menden, Michael P. and Wang, Dennis and Mason, Mike J. and Szalai, Bence and Bulusu, Krishna C. and Guan, Yuanfang and Yu, Thomas and Kang, Jaewoo and Jeon, Minji and Wolfinger, Russ and et al.}, year={2019}, month={Jun} } @article{west_lu_rotroff_kuenemann_chang_wu_wagner_buse_motsinger-reif_fourches_et al._2019, title={Identifying individual risk rare variants using protein structure guided local tests (POINT)}, volume={15}, ISSN={["1553-7358"]}, DOI={10.1371/journal.pcbi.1006722}, number={2}, journal={PLOS COMPUTATIONAL BIOLOGY}, author={West, Rachel Marceau and Lu, Wenbin and Rotroff, Daniel M. and Kuenemann, Melaine A. and Chang, Sheng-Mao and Wu, Michael C. and Wagner, Michael J. and Buse, John B. and Motsinger-Reif, Alison A. and Fourches, Denis and et al.}, year={2019}, month={Feb} } @article{kuenemann_fourches_2018, title={Cheminformatics analysis of dynamic WNK-inhibitor interactions}, volume={37}, number={6-7}, journal={Molecular Informatics}, author={Kuenemann, M. A. and Fourches, D.}, year={2018} } @article{mahapatra_franzosa_roell_kuenemann_houck_reif_fourches_kullman_2018, title={Confirmation of high-throughput screening data and novel mechanistic insights into VDR-xenobiotic interactions by orthogonal assays}, volume={8}, journal={Scientific Reports}, author={Mahapatra, D. and Franzosa, J. A. and Roell, K. and Kuenemann, M. A. and Houck, K. A. and Reif, D. M. and Fourches, D. and Kullman, S. W.}, year={2018} } @article{kuenemann_spears_orndorff_fourches_2018, title={In silico predicted glucose-1-phosphate Uridylyltransferase (GalU) inhibitors block a key pathway required for Listeria virulence}, volume={37}, number={6-7}, journal={Molecular Informatics}, author={Kuenemann, M. A. and Spears, P. A. and Orndorff, P. E. and Fourches, D.}, year={2018} } @article{williams_kuenemann_driessche_williams_fourches_freeman_2018, title={Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 1. Database Development and Analysis}, volume={6}, ISSN={["2168-0485"]}, url={https://doi.org/10.1021/acssuschemeng.7b03795}, DOI={10.1021/acssuschemeng.7b03795}, number={2}, journal={ACS SUSTAINABLE CHEMISTRY & ENGINEERING}, publisher={American Chemical Society (ACS)}, author={Williams, Tova N. and Kuenemann, Melaine A. and Driessche, George A. and Williams, Antony J. and Fourches, Denis and Freeman, Harold S.}, year={2018}, month={Feb}, pages={2344–2352} } @article{kuenemann_fourches_2017, title={Cheminformatics modeling of amine solutions for assessing their CO2 absorption properties}, volume={36}, number={7}, journal={Molecular Informatics}, author={Kuenemann, M. A. and Fourches, D.}, year={2017} } @article{kuenemann_szymczyk_chen_sultana_hinks_freeman_williams_fourches_vinueza_2017, title={Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis}, volume={8}, ISSN={["2041-6539"]}, DOI={10.1039/c7sc00567a}, number={6}, journal={CHEMICAL SCIENCE}, author={Kuenemann, Melaine A. and Szymczyk, Malgorzata and Chen, Yufei and Sultana, Nadia and Hinks, David and Freeman, Harold S. and Williams, Antony J. and Fourches, Denis and Vinueza, Nelson R.}, year={2017}, month={Jun}, pages={4334–4339} }