Dirk Tomandl Email & Phone Number

Cambridge, Massachusetts, Us

I provide scientific, technological, strategic expertise and leadership to facilitate a successful launch of the company.For more stay tuned...

As my passion outside of Science, I am composing classical music, mostly for piano and orchestra. My music is generally tonal, accessible, dramatic, romantic, story-telling:Website: https://www.dirktomandl.com/Compositions: https://www.youtube.com/playlist?list=PLbG6g-0Kt-BdSGGCO8d1pU2-Ni2n1DEbZYouTube: https://www.youtube.com/@DirkTomandl

San Francisco, California, Us

I led the ligand-based modeling team of Cheminformaticians at Atomwise. Our pivotal goal was advancing molecules to the clinic. The team harnessed the power of Atomwise’s proprietary AI platform to develop and implement advanced cheminformatics solutions, aiming to transform drug discovery.The primary focus of my group was building ADMET models, custom pKi models, and generative de-novo design. In addition, we developed scientific tools to support internal medchem efforts.A significant aspect of my responsibilities was to drive the transformation of Lead Optimization at Atomwise towards a computation-first, AI, data and algorithm driven process.Additionally, my team was engaged in developing fully automated algorithms and tools for highly efficient HV, HE, and H2L processes.All activities of my team were pivotal in streamlining drug discovery at Atomwise, enabling faster, more accurate identification and development of promising compounds.

Indianapolis, Indiana, Us

Dow Agrosciences, DuPont, and Pioneer merged in 2019 and their combined agriscience divisions became Corteva Agriscience.At Corteva, I was responsible for establishing and applying Cheminformatics and Data Sciences for Chemistry. Over the last few years, I built and established Cheminformatics as science, capabilities, analyses, and tools from scratch at Corteva.I was leading the Cheminformatics group that oversees the portfolio of scientific software and its complex infrastructure, develops and supports scientific in-house tools, performs data analysis, and builds machine learning models (QSAR) and AI that predict a broad spectrum of biological activities, environmental effects, and properties for chemical structures. The group consults with molecular project teams and provides data analyses and compound selections.I was co-leading the Cheminformatics Strategy Team.I developed the vision and concept of the internal "Corteva Cheminformatics Workbench" as the central one-stop-shop for rapid data access, scientific visualizations, and scientific tools. We influenced and impacted PerkinElmer's Signals Lead Discovery platform which we customized into the Workbench.I was the primary driver for Corteva's Artificial Intelligence Strategy for Crop Protection Discovery. I was one of the key contributors for the Crop Protection 10 year strategy as well as several 5 year strategy plans for other business functions.I was leading and driving numerous cross-departmental and cross-industry collaborations and projects.I was the primary technical expert for Pipeline Pilot at Corteva, Spotfire, Python QSAR, ML, and AI models for greenhouse activity data and other biological endpoints.

Indianapolis, In, Us

In this role, I was responsible for establishing and applying Cheminformatics at Dow AgroSciences. My group was creating scientific software tools and algorithms for Computational Chemists and Chemists. In addition, we supported molecular projects and lead generation through data analyses and compound design.

Indianapolis, In, Us

In addition to the Cheminformatics group, I also led a group of software developers to rapidly develop small tools for the R&D community at Dow AgroSciences. The group managed and developed a portfolio of around 200 small tools with high impact all across R&D.

Indianapolis, Indiana, Us

Computational support of pharmaceutical research projects. Developed and pioneered innovative methods to better transform data into knowledge and subsequently into quality decisions.

Indianapolis, Indiana, Us

Since the end of 2005, I was a member of Discovery Informatics, the scientific branch of IT.I supported numerous drug discovery projects and helped the teams to get more out of their complex data as well as pick and design better compounds for the next stage by a wide range of techniques. Particularly exciting were non-standard projects such as phenotypic screens which require deeper understanding of Biology on top of Computational Chemistry.I mentored and trained Computational Chemists, Chemists and Biologists to make better use of cheminformatics and data analysis tools.Tool and algorithm development played a pivotal role to improve the success of drug discovery projects.

I designed, developed, maintained and applied a complex software package to analyze large chemical screening datasets in close cooperation with the screening department, IT and Chemists. It was based on Spotfire, Oracle, Perl, C++.It enabled Cheminformatics analyses of Surface Plasmon-based HTS screening datasets:* developed proprietary algorithms to normalize of screening results to remove edge effects and non-linear trends from screening plates* automatically learn interpretable rules to distinguish between active and inactive chemical series from HTS data.* Scaffold-Hopping approaches by evolutionary algorithms.* cluster algorithms* chemical space visualizationIn addition to developing the analysis platform for Graffinity, I provided project support in selecting promising chemical series and writing reports for customers.

Darmstadt, De

Applied and enhanced algorithms to improve iterative screening developed during my Ph.D. dissertation in close collaboration with Chemists and Computational Chemists at Merck. Cheminformatics.

Developed algorithms for Iterative Screening using evolutionary algorithms and machine learning as part of my Ph.D.

Ph.D., Cheminformatics, Physics, Theoretical Chemistry, Machine Learning

Ph.D., Cheminformatics, Physics

Masters, Physics, Biophysics, Theoretical Physics