Evidence map›Paper›PMID 38665822›Full record

ArticleRSC medicinal chemistry2024

AiZynth impact on medicinal chemistry practice at AstraZeneca.

Jason D Shields, Rachel Howells, Gillian Lamont, Yin Leilei, Andrew Madin, Christopher E Reimann, Hadi Rezaei, Tristan Reuillon, Bryony Smith, Clare Thomson and 2 more

Abstract readEditorial
In one paragraph

Article in RSC medicinal chemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing 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

7 citing papers in PubMed.

  1. Article
  2. Article
  3. Review
  4. Investigations into the Efficiency of Computer-Aided Synthesis Planning.Journal of chemical information and modeling · 2025
    Article
  5. Structure-Based Drug Design with a Deep Hierarchical Generative Model.Journal of chemical information and modeling · 2024
    Article
  6. DrugGym: A testbed for the economics of autonomous drug discovery.bioRxiv : the preprint server for biology · 2024
    Article
  7. Article
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

12 authors.

Jason D ShieldsEarly Oncology R&D, AstraZeneca 35 Gatehouse Drive Waltham MA 02451 USA jason.shields@astrazeneca.com.ORCID https://orcid.org/0000-0002-9015-8594
Rachel HowellsEarly Oncology R&D, AstraZeneca 1 Francis Crick Avenue Cambridge CB2 0AA UK.ORCID https://orcid.org/0009-0000-5850-7339
Gillian LamontEarly Oncology R&D, AstraZeneca 1 Francis Crick Avenue Cambridge CB2 0AA UK.
Yin LeileiPharmaron Beijing Co., Ltd. 6 Taihe Road BDA Beijing 100176 P.R. China.
Andrew MadinDiscovery Sciences, AstraZeneca 1 Francis Crick Avenue Cambridge CB2 0AA UK.
Christopher E ReimannEarly Oncology R&D, AstraZeneca 35 Gatehouse Drive Waltham MA 02451 USA jason.shields@astrazeneca.com.
Hadi RezaeiEarly Oncology R&D, AstraZeneca 35 Gatehouse Drive Waltham MA 02451 USA jason.shields@astrazeneca.com.
Tristan ReuillonRespiratory & Immunology, BioPharmaceuticals R&D, AstraZeneca Pepparedsleden 1 43183 Mölndal Sweden.ORCID https://orcid.org/0000-0002-2973-4724
Bryony SmithEarly Oncology R&D, AstraZeneca 1 Francis Crick Avenue Cambridge CB2 0AA UK.
Clare ThomsonEarly Oncology R&D, AstraZeneca 1 Francis Crick Avenue Cambridge CB2 0AA UK.ORCID https://orcid.org/0000-0003-3160-1397
Yuting ZhengPharmaron Beijing Co., Ltd. 6 Taihe Road BDA Beijing 100176 P.R. China.
Robert E ZieglerEarly Oncology R&D, AstraZeneca 35 Gatehouse Drive Waltham MA 02451 USA jason.shields@astrazeneca.com.ORCID https://orcid.org/0000-0001-9574-8780

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

AstraZeneca chemists have been using the AI retrosynthesis tool AiZynth for three years. In this article, we present seven examples of how medicinal chemists using AiZynth positively impacted their drug discovery programmes. These programmes run the gamut from early-stage hit confirmation to late-stage route optimisation efforts. We also discuss the different use cases for which AI retrosynthesis tools are best suited.

Identifiers

PMID38665822
PMCPMC11042116

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.