Using LC Retention Times in Organic Structure Determination: Drug 
Metabolite Identification

por Fitch, William L., Khojasteh, Cyrus, Aliagas, Ignacio, Johnson, Kevin
Publicado 2018

chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery

por Lee, Man-Ling, Aliagas, Ignacio, Feng, Jianwen A., Gabriel, Thomas, O’Donnell, T. J., Sellers, Benjamin D., Wiswedel, Bernd, Gobbi, Alberto
Publicado 2017