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Wojciech Plonka is a Project Leader with the Life Science Software Development Group in FQS Poland. A graduate of the Technical University of Lodz, Poland in Computational Chemistry, he joined Fujitsu in 2000 and has since participated in the development of Fujitsu's line of Computational Chemistry Software. His current responsibilities include management of QSAR software development as well as interactions with customers and delivering lectures and training at conferences and workshops.
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Prediction of pharmacological properties and QSAR Analysis
Workshop Instructor: Wojciech Plonka, Fujitsu Group
This training will focus on Quantitative Structure-Activity Relationships (QSAR) and the prediction of environmentally important properties such as toxicity, carcinogenicity, human intestinal absorption and others. The workshop will be based on the newest release of Fujitsu’s ADMEWORKS ModelBuilder software. This tool is created for building mathematical models that can later be used for predicting various chemical and biological properties of compounds. It also provides the user a friendly and high performance environment. The models are based on values of physicochemical, topological, geometrical, and electronic properties derived from the molecular structure. Descriptor generator programs in ADMEWORKS ModelBuilder come mostly from ADAPT, the software system created by Peter Jurs and coworkers at Pennsylvania State University to study molecular structure - biological activity relationships (SAR) and molecular structure - physicochemical property relationships (SPR) and from MOPAC, the popular semiempirical quantum chemistry package designed by Dr James Stewart.
FQS Poland will provide a demo version of ADMEWORKS ModelBuilder 3,0 for all training participants. The demo version is not limited in any way except the time period which is 21 days.
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