Drug Discovery with KNIME

Abstract: Technological advances in high-throughput screening methods, combinatorial chemistry and the design of virtual libraries have evolved in the pursuit of challenging drug targets. Over the last two decades a vast amount of data has been generated within these fields and as a consequence data mining methods have been developed to extract key pieces of information from these large data pools. A key goal in the drug discovery cycle is the effective management and communication of information to reduce compound attrition and increase the likelihood of achieving success in late stage drug development.

KNIME, the Konstanz Information Miner, has emerged as a leader in open source data mining tools. KNIME provides an integrated solution for the data mining requirements across the drug discovery pipeline through a visual assembly of data workflows drawing from an extensive repository of tools. This talk will demonstrate applications of KNIME as an open source data mining tool and its applications in drug discovery at NovaData Solutions.

Bio: Mike Mazanetz, is the Director of NovaData Solutions Ltd, a contract research organisation providing high quality computational chemistry and data informatics services and consultancy to the life science and chemical industries.

He has over 15 years of experience gained in the chemical industry, he has published extensively in drug discovery research and is the co-author of the KNIME Advanced User’s Guide. He is a Fellow of the Royal Society for Chemistry and has a PhD in computational and medicinal chemistry. Prior to founding NovaData Solutions, Mike had worked at Kodak, Eli Lilly and more recently at Evotec where he was instrumental in developing solutions to tackle challenges in drug discovery using KNIME.