Zlecenie 8076649 - Nowe, małocząsteczkowe leki immunomodulujące w terapii...

oftware for the prediction and identification of drug metabolites, the minimum range of functionalities is presented below:  1 single computer license  High-throughput metID software  Results exported to a numerous file format: PDF, SD File , XML and Excel file  Dedicated for broad spectra formats (ms/ms, dds, two energies of collision)  Import of structures of compounds from different formats: mol, SDF, SMILES  Capable to open and read files generated by software for radiolabeled compounds  Allows choosing metabolite generations and type of matrix brought into the analysis  Elucidation of the structures of metabolites from accurate mass MS/MS data  Compatible with most common file formats (*.d, *.raw, *.RAW, *.wiff)  Enabling automatic identification of metabolites for batches of compounds  Batch processing of datasets for a larger number of compounds  Automatically generated names of files for batch processed samples  Automation tools for increased throughput metabolic soft-spot identification  User support after purchase (maintenance updates, email support) Type: 2 single computer license Duration: 1 year