The rise of automated curiosity-driven discoveries in chemistry-Reference-Cited by-同舟云学术

The rise of automated curiosity-driven discoveries in chemistry

Published:2023 Issue:38 Volume:14 Page:10378-10384
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Bustillo Latimah¹^ORCID,Laino Teodoro²³^ORCID,Rodrigues Tiago¹^ORCID

Affiliation:

1. Research Institute for Medicines (iMed), Faculdade de Farmácia, Universidade de Lisboa, Lisbon, Portugal

2. IBM Research Europe, Säumerstrasse 4, 8803 Rüschlikon, Switzerland

3. National Center for Competence in Research-Catalysis (NCCR-Catalysis), Zurich, Switzerland

Abstract

The quest for generating novel chemistry knowledge is critical in scientific advancement, and machine learning (ML) has emerged as an asset in this pursuit.

Funder

HORIZON EUROPE Research Infrastructures

NCCR Catalysis

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/SC/D3SC03367H

Reference58 articles.

1. Papers and patents are becoming less disruptive over time

2. NIH funding and the pursuit of edge science

3. The role of serendipity in drug discovery

4. The Yellow Brick Road to Penicillin: A Story of Serendipity

5. Planning chemical syntheses with deep neural networks and symbolic AI

Cited by 4 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Finding the most potent compounds using active learning on molecular pairs;Beilstein Journal of Organic Chemistry;2024-08-27

2. Yoked learning in molecular data science;Artificial Intelligence in the Life Sciences;2024-06

3. Leveraging bounded datapoints to classify molecular potency improvements;RSC Medicinal Chemistry;2024

4. Digital chemistry: navigating the confluence of computation and experimentation – definition, status quo, and future perspective;Digital Discovery;2024