Spencer D. Dreher
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View article: Roadmap to Pharmaceutically Relevant Reactivity Models Leveraging High-Throughput Experimentation
Roadmap to Pharmaceutically Relevant Reactivity Models Leveraging High-Throughput Experimentation Open
The merger of High-Throughput Experimentation (HTE) and data science presents an opportunity to both accelerate and inspire innovations in synthetic chemistry. Similarly, developments in machine learning (ML) have enabled the distillation …
View article: Miniaturization of Popular Reactions from the Medicinal Chemists’ Toolbox for Ultrahigh-Throughput Experimentation
Miniaturization of Popular Reactions from the Medicinal Chemists’ Toolbox for Ultrahigh-Throughput Experimentation Open
Miniaturization is a tactic employed in many technologies to accelerate discovery and enable new applications such as systems-level evaluation. The miniaturization of chemical synthesis to the limits of chemoanalytical and bioanalytical li…
View article: CCDC 2153752: Experimental Crystal Structure Determination
CCDC 2153752: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Accelerating reaction generality and mechanistic insight through additive mapping
Accelerating reaction generality and mechanistic insight through additive mapping Open
Reaction generality is crucial in determining the overall impact and usefulness of synthetic methods. Typical generalization protocols require a priori mechanistic understanding and suffer when applied to complex, less understood systems. …
View article: The Open Reaction Database
The Open Reaction Database Open
Chemical reaction data in journal articles, patents, and even electronic laboratory notebooks are currently stored in various formats, often unstructured, which presents a significant barrier to downstream applications, including the train…
View article: An Expedited Phenotypic Approach Towards Organic Reaction Generality
An Expedited Phenotypic Approach Towards Organic Reaction Generality Open
Reaction generality is crucial in determining the overall impact and usefulness of organic synthetic methods. In contrast, contemporary generalization processes seem unable to meet the growing demand for robust methodology. We sought to de…
View article: An Expedited Phenotypic Approach Towards Organic Reaction Generality
An Expedited Phenotypic Approach Towards Organic Reaction Generality Open
Reaction generality is crucial in determining the overall impact and usefulness of organic synthetic methods. In contrast, contemporary generalization processes seem unable to meet the growing demand for robust methodology. We sought to de…
View article: Excellence in Industrial Organic Synthesis 2019: The Past, Present, and Future
Excellence in Industrial Organic Synthesis 2019: The Past, Present, and Future Open
ADVERTISEMENT RETURN TO ISSUEEditorialNEXTExcellence in Industrial Organic Synthesis 2019: The Past, Present, and FutureJohn A. RaganJohn A. RaganChemical Research & Development, Pfizer Global Research & Development, Eastern Point Road, Gr…
View article: Microscale High-Throughput Experimentation as an Enabling Technology in Drug Discovery: Application in the Discovery of (Piperidinyl)pyridinyl-1 <i>H</i> -benzimidazole Diacylglycerol Acyltransferase 1 Inhibitors
Microscale High-Throughput Experimentation as an Enabling Technology in Drug Discovery: Application in the Discovery of (Piperidinyl)pyridinyl-1 <i>H</i> -benzimidazole Diacylglycerol Acyltransferase 1 Inhibitors Open
Miniaturization and parallel processing play an important role in the evolution of many technologies. We demonstrate the application of miniaturized high-throughput experimentation methods to resolve synthetic chemistry challenges on the f…
View article: CCDC 1560713: Experimental Crystal Structure Determination
CCDC 1560713: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Aryl amination using ligand-free Ni(II) salts and photoredox catalysis
Aryl amination using ligand-free Ni(II) salts and photoredox catalysis Open
Over the past two decades, there have been major developments in transition metal-catalyzed aminations of aryl halides to form anilines, a common structure found in drug agents, natural product isolates, and fine chemicals. Many of these a…
View article: Palladium‐Catalyzed Asymmetric Allylic Alkylations with Toluene Derivatives as Pronucleophiles
Palladium‐Catalyzed Asymmetric Allylic Alkylations with Toluene Derivatives as Pronucleophiles Open
The first two highly enantioselective palladium‐catalyzed allylic alkylations with benzylic nucleophiles, activated with Cr(CO) 3 , have been developed. These methods enable the enantioselective synthesis of α‐2‐propenyl benzyl motifs, whi…
View article: Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods
Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods Open
We report a standardized complex molecule diagnostic approach using collections of relevant drug-like molecules which we call chemistry informer libraries.