Evidence map›Paper›PMID 41163719›Full record

ArticleRSC medicinal chemistry2025

Accelerating compound synthesis in drug discovery: the role of digitalisation and automation.

David F Nippa, Alexander J Boddy, Kenneth Atz, Uwe Grether, Hayley Binch, Rainer E Martin

Abstract readEditorial
In one paragraph

Article in RSC medicinal chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

David F NippaMedicinal Chemistry, Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd. Grenzacherstrasse 124 4070 Basel Switzerland david.nippa@roche.com rainer_e.martin@roche.com.ORCID https://orcid.org/0000-0002-0346-3786
Alexander J BoddyMedicinal Chemistry, Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd. Grenzacherstrasse 124 4070 Basel Switzerland david.nippa@roche.com rainer_e.martin@roche.com.ORCID https://orcid.org/0000-0001-5967-0402
Kenneth AtzMedicinal Chemistry, Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd. Grenzacherstrasse 124 4070 Basel Switzerland david.nippa@roche.com rainer_e.martin@roche.com.ORCID https://orcid.org/0000-0002-2628-1619
Uwe GretherMedicinal Chemistry, Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd. Grenzacherstrasse 124 4070 Basel Switzerland david.nippa@roche.com rainer_e.martin@roche.com.ORCID https://orcid.org/0000-0002-3164-9270
Hayley BinchMedicinal Chemistry, Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd. Grenzacherstrasse 124 4070 Basel Switzerland david.nippa@roche.com rainer_e.martin@roche.com.
Rainer E MartinMedicinal Chemistry, Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd. Grenzacherstrasse 124 4070 Basel Switzerland david.nippa@roche.com rainer_e.martin@roche.com.ORCID https://orcid.org/0000-0001-7895-497X

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The Design-Make-Test-Analyse (DMTA) cycle relies on efficient compound synthesis, yet the synthesis ("Make") process remains a significant bottleneck, especially for complex molecules. This opinion letter explores how digitalisation and automation are accelerating the entire synthesis process. It details their current integration, from AI-powered synthesis planning and streamlined sourcing to automated reaction setup, monitoring, purification, and characterisation. FAIR data principles are emphasised as crucial for building robust predictive models and enabling interconnected workflows. Finally, the future of fully integrated, data-driven synthesis with tools like "Chemical ChatBots" and the evolving skill set required for medicinal chemists in this increasingly digital and automated landscape are discussed.

Identifiers

PMID41163719
PMCPMC12560346

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.