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Articles by Florian Boser
Machine Learning for Synthetic Organic Chemistry: Methods, Applications, and Best Practices
1 Introduction In synthetic chemistry, artificial intelligence (AI) and machine learning (ML) have recently begun to move toward laboratory practice. This momentum builds on a long history of AI research that dates back to the 1956 Dartmouth computer science workshop, often considered the birth of AI research [1].
Triple energy transfer-enabled dearomative cycloaddition/rearrangement cascade of bicyclic azaarenes to structurally complex products
Abstract Pyridine-fused, C(sp3)-rich bridged frameworks are privileged scaffolds in natural products and pharmaceutical compounds, yet their synthesis remains a formidable challenge due to prevailing step-intensive routes. Energy transfer (EnT)-catalysed dearomative cycloadditions offer a milder approach to increase saturation in feedstock (hetero)arenes. Current methods exploiting the 1,4-biradical reactivity of bicyclic azaarenes mainly focus on [4+2] cycloadditions.
Yield Prediction of Organic Reactions in Biased Data Sets via Positive-Unlabeled Learning Click to copy article link Article link copied!
Introduction Click to copy section linkSection link copied! The accurate a priori prediction of reaction yields represents a long-standing objective in organic chemistry. (1) Achieving this goal would revolutionize chemical synthesis, enabling chemists and automated platforms to streamline reaction discovery, accelerate reaction optimization, and rationally guide the design of complex retrosynthetic routes, thereby enhancing overall efficiency and sustainability.
Yield Prediction of Organic Reactions in Biased Data Sets via Positive-Unlabeled Learning Click to copy article link Article link copied!
Introduction Click to copy section linkSection link copied! The accurate a priori prediction of reaction yields represents a long-standing objective in organic chemistry. (1) Achieving this goal would revolutionize chemical synthesis, enabling chemists and automated platforms to streamline reaction discovery, accelerate reaction optimization, and rationally guide the design of complex retrosynthetic routes, thereby enhancing overall efficiency and sustainability.
Anomeric Amide‐Enabled Alkene‐Arene and Alkene‐Alkene Aminative Coupling
The ubiquity of sp3-hybridized nitrogen atoms in natural products and pharmaceuticals, has made amine-containing molecules some of the most sought-after targets in synthetic chemistry.1 Accordingly, there is a vast body of scientific literature on methods that allow the assembly of fragments such as secondary amines and aziridines (Figure 1Ai),2 for example, the highly versatile Buchwald–Hartwig reaction.3 These transformations typically involve a single retrosynthetic disconnection to two...
Anomeric Amide‐Enabled Alkene‐Arene and Alkene‐Alkene Aminative Coupling
Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.
Autonomous execution of highly reactive chemical transformations in the Schlenkputer - Nature Chemical Engineering
Abstract We design a modular programmable inert-atmosphere Schlenkputer (Schlenk-line computer) for the synthesis and manipulation of highly reactive compounds, including those that are air and moisture sensitive or pyrophoric.
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