Philipp M. Pflüger
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View article: Streamlining cellular thermal shift assay for ultra-high throughput screening
Streamlining cellular thermal shift assay for ultra-high throughput screening Open
The Cellular Thermal Shift Assay (CETSA) has emerged as a powerful tool for evaluating drug-target interactions in live cells, yet its application in ultra-high throughput screening (uHTS) has been limited by technical constraints. In this…
View article: Calibration-Free Quantification and Automated Data Analysis for High-Throughput Reaction Screening
Calibration-Free Quantification and Automated Data Analysis for High-Throughput Reaction Screening Open
The accelerated generation of reaction data through high-throughput experimentation and automation has the potential to boost organic synthesis. However, efforts to generate diverse reaction datasets or identify generally applicable reacti…
View article: Late-Stage Saturation of Drug Molecules
Late-Stage Saturation of Drug Molecules Open
The available methods of chemical synthesis have arguably contributed to the prevalence of aromatic rings, such as benzene, toluene, xylene, or pyridine, in modern pharmaceuticals. Many such sp2-carbon-rich fragments are now easy to synthe…
View article: Standardizing Substrate Selection: A Strategy toward Unbiased Evaluation of Reaction Generality
Standardizing Substrate Selection: A Strategy toward Unbiased Evaluation of Reaction Generality Open
With over 10,000 new reaction protocols arising every year, only a handful of these procedures transition from academia to application. A major reason for this gap stems from the lack of comprehensive knowledge about a reaction's scope, i.…
View article: An Evolutionary Algorithm for Interpretable Molecular Representations
An Evolutionary Algorithm for Interpretable Molecular Representations Open
Data to reproduce result for the publication "An Evolutionary Algorithm for Interpretable Molecular Representations". Input parameters can be found in the supporting information. Code available under zivgitlab.uni-muenster.de/ag-glorius/pu…
View article: An Evolutionary Algorithm for Interpretable Molecular Representations
An Evolutionary Algorithm for Interpretable Molecular Representations Open
Data to reproduce result for the publication "An Evolutionary Algorithm for Interpretable Molecular Representations". Input parameters can be found in the supporting information. Code available under zivgitlab.uni-muenster.de/ag-glorius/pu…
View article: Molecular Machine Learning: The Future of Synthetic Chemistry?
Molecular Machine Learning: The Future of Synthetic Chemistry? Open
During the last decade, modern machine learning has found its way into synthetic chemistry. Some long‐standing challenges, such as computer‐aided synthesis planning (CASP), have been successfully addressed, while other issues have barely b…