Chemistry in a graph: modern insights into commercial organic synthesis planning-Reference-Cited by-同舟云学术

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Chemistry in a graph: modern insights into commercial organic synthesis planning

Published:2024 Issue:9 Volume:3 Page:1682-1694
ISSN:2635-098X
Container-title:Digital Discovery
language:en
Short-container-title:Digital Discovery

Author:

Avila Claudio¹^ORCID,West Adam¹^ORCID,Vicini Anna C.¹^ORCID,Waddington William¹^ORCID,Brearley Christopher¹^ORCID,Clarke James¹^ORCID,Derrick Andrew M.¹^ORCID

Affiliation:

1. Pfizer UK R&D Ltd, Pharmaceutical Sciences Small Molecule (PSSM), Chemical Research and Development (CRD), Discovery Park House, Ramsgate Road, CT13 9NJ, Sandwich, UK

Abstract

We present graph databases as a modern solution for storing and accessing chemical knowledge. This approach is demonstrated in commercial route selection and holds the potential to create a universal data-sharing framework for chemistry.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/DD/D4DD00120F

Reference61 articles.

1. The Logic of Chemical Synthesis: Multistep Synthesis of Complex Carbogenic Molecules(Nobel Lecture)

2. Click Chemistry: Diverse Chemical Function from a Few Good Reactions

3. J.Studley , in Complete Accounts of Integrated Drug Discovery and Development: Recent Examples from the Pharmaceutical Industry , 2022 , vol. 4 , pp. 333–355 , 10.1021/bk-2022-1423.ch009

4. Chemical Process Research and Development in the 21st Century: Challenges, Strategies, and Solutions from a Pharmaceutical Industry Perspective

5. Advancements in Assay Technologies and Strategies to Enable Drug Discovery

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