@article{zin_borrel_fourches_2020, title={Benchmarking 2D/3D/MD-QSAR Models for Imatinib Derivatives: How Far Can We Predict?}, volume={60}, ISBN={1549-960X}, DOI={10.1021/acs.jcim.0c00200}, number={7}, journal={JOURNAL OF CHEMICAL INFORMATION AND MODELING}, author={Zin, Phyo Phyo Kyaw and Borrel, Alexandre and Fourches, Denis}, year={2020}, pages={3342–3360} } @article{zin_williams_ekins_2020, title={Cheminformatics Analysis and Modeling with MacrolactoneDB}, volume={10}, ISBN={2045-2322}, DOI={10.1038/s41598-020-63192-4}, number={1}, journal={SCIENTIFIC REPORTS}, author={Zin, Phyo Phyo Kyaw and Williams, Gavin J. and Ekins, Sean}, year={2020} } @article{kuenemann_zin_kuchibhotla_fourches_2020, title={Cheminformatics Modeling of Closantel Analogues for Treating River Blindness}, volume={1}, DOI={10.26434/chemrxiv.11606019.v1}, publisher={American Chemical Society (ACS)}, author={Kuenemann, Melaine A. and Zin, Phyo Phyo and Kuchibhotla, Sravya and Fourches, Denis}, year={2020}, month={Jan} } @article{makarov_salina_reynolds_zin_ekins_2020, title={Molecule Property Analyses of Active Compounds for Mycobacterium tuberculosis}, volume={63}, ISBN={1520-4804}, DOI={10.1021/acs.jmedchem.9b02075}, number={17}, journal={JOURNAL OF MEDICINAL CHEMISTRY}, author={Makarov, Vadim and Salina, Elena and Reynolds, Robert C. and Zin, Phyo Phyo Kyaw and Ekins, Sean}, year={2020}, pages={8917–8955} } @article{zin_williams_fourches_2020, title={SIME: synthetic insight-based macrolide enumerator to generate the V1B library of 1 billion macrolides}, volume={12}, ISBN={1758-2946}, DOI={10.1186/s13321-020-00427-6}, number={1}, journal={JOURNAL OF CHEMINFORMATICS}, author={Zin, Phyo Phyo Kyaw and Williams, Gavin and Fourches, Denis}, year={2020} } @article{odenkirk_zin_ash_reif_fourches_baker_2020, title={Structural-based connectivity and omic phenotype evaluations (SCOPE): a cheminformatics toolbox for investigating lipidomic changes in complex systems}, volume={145}, ISBN={1364-5528}, DOI={10.1039/d0an01638a}, number={22}, journal={ANALYST}, author={Odenkirk, Melanie T. and Zin, Phyo Phyo K. and Ash, Jeremy R. and Reif, David M. and Fourches, Denis and Baker, Erin S.}, year={2020}, pages={7197–7209} } @article{zin_williams_fourches_2018, title={Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds}, volume={10}, DOI={10.1186/s13321-018-0307-6}, journal={JOURNAL OF CHEMINFORMATICS}, author={Zin, Phyo Phyo and Williams, Gavin and Fourches, Denis}, year={2018} }