Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns

por McEachran, Andrew D., Balabin, Ilya, Cathey, Tommy, Transue, Thomas R., Al-Ghoul, Hussein, Grulke, Chris, Sobus, Jon R., Williams, Antony J.
Publicado 2019

Aggregating Data for Computational Toxicology Applications: The U.S. Environmental Protection Agency (EPA) Aggregated Computational Toxicology Resource (ACToR) System

por Judson, Richard S., Martin, Matthew T., Egeghy, Peter, Gangwal, Sumit, Reif, David M., Kothiya, Parth, Wolf, Maritja, Cathey, Tommy, Transue, Thomas, Smith, Doris, Vail, James, Frame, Alicia, Mosher, Shad, Cohen Hubal, Elaine A., Richard, Ann M.
Publicado 2012