Existing methods are largely confined to simple systems, struggling with complex structures like those in transition metal catalysis

The gap

Evidence profile

Sourced from the future work and stated research gap of the source papers, classified as general, drawn from work published between 2018 and 2026, spanning 3 journals. Those papers have been cited 14 times in total.

Supporting evidence — 4 representative gaps

• Flow Chemistry in Drug Discovery: Challenges and Opportunities (2021) · Topics in Medicinal Chemistry · cited 1× · doi

  References Abstract The spectacular development of new chemical reactions and processes under continuous flow has attracted particularly the attention of the pharmaceutical industry. The chance to carry out complex chemistry, the sustainability of the process, and the possibility of adapting new technologies to this technique have paved the way to the integration of flow chemistry into drug discovery. Thus, this book chapter covers essential aspects of flow chemistry and how a variety of technologies and catalytic methods can be used to enable new chemical space in drug discovery programs. Keywords Drug discovery, Enabling technology, Flow chemistry, Integrated platforms, Novel chemical space E. López Facultad de Ciencias y Tecnologías Químicas, Universidad de Castilla-La Mancha, Ciudad Real, Spain J. Alcázar (*) Lead Discovery, Janssen Research and Development, Toledo, Spain e-mail: [email protected]

  generalfuture work
  Keywords: chemistry discovery chemical drug development technologies space spain references abstract spectacular reactions processes continuous attracted
• Flow Chemistry in Drug Discovery: Challenges and Opportunities (2021) · Topics in Medicinal Chemistry · cited 1× · doi

  To sum up continuous flow chemistry offers unique opportunities for drug discov- ery. From expanding the medicinal chemist’s toolbox to accelerating design- synthesize-test cycle through the integration of automation and AI. Various aspects make flow chemistry extraordinarily attractive for the generation of bioactive target compounds such as drugs or natural products. First, flow chem- istry enables forgotten and underused chemistries making them parallelizable for the rapid generation of organic molecule analogues expanding accessible chemical space. Then, an array of technologies can be installed to construct unique molecules, which could be problematic to synthetize otherwise. Altogether, the sustainable approach provided by flow chemistry has made this technology very convenient to obtain bioactive molecules during the drug discovery process and for reaction scale- up in industrial environments. Nevertheless, there are still challenges where flow chemistry yet needs to dem- onstrate its value. Parallel batch and automated approaches are well established and can perform diverse chemistries regardless of the solubility of the mixture, a limitation in flow. Thus, chemists can run 1,536 reactions per plate in a well-plate format. Flow chemistry can achieve comparable numbers of reactions. Chemists should consider it as a complementary technology to other existing platforms. It is always an interesting approach for flow medicinal chemists to look for transforma- tions that are not useful in batch to be translated in continuous flow and essentially make the best of it. In the following chapters key authors will describe different applications in the drug discovery setting. This overview will provide the reader with a broad under- standing of how flow chemistry can help medicinal chemists to improve the way in which clinical candidates can be discovered.

  generalfuture work
  Keywords: chemistry chemists drug medicinal continuous unique expanding make generation bioactive chemistries molecules approach technology discovery
• Flow Chemistry as a Drug Discovery Tool: A Medicinal Chemistry Perspective (2018) · Topics in Heterocyclic Chemistry · cited 12× · doi

  References Abstract The applications of flow chemistry in a drug discovery environment are discussed within. The development of integrated synthesis–bioassay platforms is discussed in the context of enabling medicinal chemistry programs, as is the use of flow chemistry to facilitate intermediate scale-up in a lead optimization setting. Emerg- ing chemical technologies are also discussed, highlighting the use of high temperatures, hazardous gases, and photochemistry in flow to support medicinal chemistry efforts. Keywords Drug discovery · Emerging technologies · Flow chemistry · Integrated systems · Lead optimization · Medicinal chemistry A. R. Bogdan (*) Discovery Chemistry and Technology, AbbVie, Inc., North Chicago, IL, USA e-mail: [email protected] M. G. Organ Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, ON,

  generalfuture work
  Keywords: chemistry discovery discussed medicinal drug integrated lead optimization technologies bogdan abbvie ottawa references abstract applications
• Automated transition state generation for mechanistic exploration in organic synthesis (2026) · Nature Communications · doi

  Existing methods are largely confined to simple systems, struggling with complex structures like those in transition metal catalysis. The manual, expertise-dependent paradigm scales poorly and is increasingly unable to keep pace with the rapid growth of novel reaction systems. There is a need for a scalable and transferable solution for automating mechanistic studies in organic synthesis.

  generalstated research gapevidence 5/5
  Keywords: existing methods largely confined simple systems struggling complex

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