Speeding up the screening of steroids in urine: Development of a user-friendly library

The Artificial Intelligence Workbench: a retrospective review

“…The MLibrary software tool provides a database search engine developed to assist the user in the detection and identification of small compounds, such as anabolic androgenic steroids (AAS) using MALDI-TOF MS [Galesio et al, 2013]. …”

Aplicación de técnicas de minería de datos e inteligencia artificial a datos de espectrometría de masas para el descubrimiento de conocimiento

“…En la primera de estas contribuciones se presenta MLibrary [5], el proyecto que representa el inicio de la tesis. En este trabajo, se desarrollaron una base de datos con un motor de búsqueda para asistir al usuario en la detección e identificación de AAS y sus metabolitos mediante espectrometría de masas MALDI-TOF.…”

“…Evolución de la investigación y contribucionesEn 2012, el trabajo doctoral comenzó en dos de las líneas de trabajo definidas. Por una parte, el desarrollo de MLibrary[5], una base de datos con un motor de búsqueda diseñados para asistir al usuario en la detección e identificación de anabolizantes androgénicos esteroideos (AAS, Androgenic Anabolic Steroids) y sus metabolitos mediante espectrometría de masas MALDI-TOF. Esta aplicación permite a los investigadores manejar repositorios de biomarcadores que pueden ser utilizados para detectar e identificar la presencia de AAS en muestras MALDI-TOF.Por otra parte, el estudio y comparación de los métodos disponibles de preprocesado de datos en crudo de MALDI-TOF.…”

Annual banned‐substance review: analytical approaches in human sports drug testing

“…Wang et al described the analysis of five AAS (testosterone, epitestosterone, androstenedione, boldenone, and clostebol) from human urine by means of CE utilizing a so-called sweeping stacking method. [44] Initial testing proceduressteroid profiling As in the preceding 12-month period, particular focus of antidoping research work between October 2012 and September 2013 was put on steroid profile analyses and investigations concerning factors potentially influencing analytical results and/ or their interpretation. For several reasons the study can however not be considered relevant for doping controls including the facts that (1) the method's sensitivity was limited to 30 ng/mL, (2) analytical run times were > 30 min, and (3) the sample preparation (LLE without hydrolysis) as well as the chosen compounds (active/intact AAS) do not represent the main target analytes of sports drug testing approaches.…”

“…Aiming at the facilitated data interpretation, the same group presented a software supporting the library-assisted identification of steroidal agents measured by means of MALDI-MS(/MS). [44] Initial testing proceduressteroid profiling As in the preceding 12-month period, particular focus of antidoping research work between October 2012 and September 2013 was put on steroid profile analyses and investigations concerning factors potentially influencing analytical results and/ or their interpretation. Further, besides 'traditional' steroid profile analyses, studies concerning various phase-II metabolites were conducted as outlined in the following.…”