Accessing eNanoMapper Database

Using KNIME and Python to access eNanoMapper Database Services
PRESENTING AUTHOR: 

Dr Georgios Drakakis

INSTITUTION / COMPANY : 

National Technical University of Athens

POSTER ABSTRACT: 

The increasing production rate of engineered nanomaterials (ENMs) has constituted the data collection/management and the use of non-testing methods largely important, especially in the case of in silico methods which require less time and cost significantly less than the alternatives.

In response to this need, eNanoMapper (http://enanomapper.net/) provides a computational infrastructure for the management and modelling of ENM toxicological data [1] using Application Programming Interfaces (APIs) to ensure data and model interoperability.

Enanomapper data is handled via AMBIT whose API is available at http://ideaconsult.github.io/examples-ambit/apidocs/. However, the need has arisen for local usage of this data. To this end, eNanoMapper web services may also be accessed using KNIME [3], which allows reproducible and transferable workflows. Should users wish to customize their API calls, they may use external tools, such as Python embedded in KNIME nodes.

ABOUT THE PRESENTER

Dr. Georgios Drakakis received his Diploma in Computer Science from the Aristotle University of Thessaloniki in 2007. He then proceeded to obtain two MSc degrees in Computer Science and Advanced Biological Sciences/Bioinformatics from Trinity College Dublin and the University of Liverpool respectively.

In January of 2015 he completed his PhD at the University of Cambridge in the area of Computational Chemistry/Cheminformatics and joined the National Technical University of Athens (ca. 2 years). He is currently a Post-Doctoral Research Associate at the Unit of Process Control and Informatics working on algorithm design and nano-QSAR modelling.

His research interests are in the areas of machine learning, data mining, cheminformatics, computational chemistry and computer vision. Over the past 4 years he has co-authored 10 original research publications in these fields and contributed to 2 book chapters.