Dr. Peter Gedeck


Peter Gedeck is is at the forefront of the use of data science in drug discovery. He is a Senior Data Scientist at Collaborative Drug Discovery, which offers the pharmaceutical industry cloud-based software to manage the huge amount of data involved in the drug discovery process.  Drug discovery involves the exploration and testing of huge numbers of molecule combinations, and much of that testing takes place analytically, hence the need for robust software to handle the data and provide a framework for analyzing it.  Peter’s specialty is the development of machine learning algorithms to predict biological and physicochemical properties of drug candidates. Prior to this, he worked for twenty years as a computational chemist in drug discovery at Novartis in the United Kingdom, Switzerland, and Singapore. His research interests include the application of statistical and machine learning methods to problems in drug discovery. clinical research and meta-analysis.

Peter is also a co-author of Data Mining for Business Analytics - Using Python, continuing this best-selling Wiley series, which serves as the foundation for Statistics.com’s Predictive Analytics series of courses.  Galit Shmueli and Inbal Yahav, fellow instructors at Statistics.com, are also co-authors in this book series, as is Peter Bruce, the founder of Statistics.com.


MSc, Chemistry, University of Erlangen-Nürnberg in Germany and University College London in the United Kingdom

PhD Chemistry, University of Erlangen-Nürnberg in Germany

Mathematics, Fernuniversität Hagen, Germany

Areas of Expertise:

Cheminformatics and Computational Chemistry

Scientific Computing

Machine Learning


Author of publications in the area of drug discovery, computational chemistry, and cheminformatics. https://scholar.google.com/citations?user=qfijp7UAAAAJ


Fellowship of the German Academic Exchange Service (DAAD, 1987-1988)

Fellowship of the German Academic Scholarship Foundation (Studienstiftung des Deutschen Volkes, 1987-1991)

Doctoral fellowship of the German Academic Scholarship Foundation (1991-1995)

Website links:

Peter Gedeck LLC - Data Science + Cheminformatics

Predictive Analytics 1 - Machine Learning Tools - with Python
Predictive Analytics 2 - Neural Nets and Regression - with Python
Predictive Analytics 3: Dimension Reduction, Clustering and Association Rules - with Python

Instructor at Statistics.com since January 2018


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