Evidence map›Paper›PMID 31025861›Full record

ArticleJournal of chemical information and modeling2019

Intuition-Enabled Machine Learning Beats the Competition When Joint Human-Robot Teams Perform Inorganic Chemical Experiments.

Vasilios Duros, Jonathan Grizou, Abhishek Sharma, S Hessam M Mehr, Andrius Bubliauskas, Przemysław Frei, Haralampos N Miras, Leroy Cronin

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2019. 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. Review
  3. Data-Driven Polyoxometalate Chemistry.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025
    Article
  4. Review
  5. Article
  6. Review
  7. 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

8 authors.

Vasilios DurosSchool of Chemistry , University of Glasgow , University Avenue, Glasgow G12 8QQ , United Kingdom.ORCID 0000-0002-8373-4362
Jonathan GrizouSchool of Chemistry , University of Glasgow , University Avenue, Glasgow G12 8QQ , United Kingdom.ORCID 0000-0002-2211-4389
Abhishek SharmaSchool of Chemistry , University of Glasgow , University Avenue, Glasgow G12 8QQ , United Kingdom.
S Hessam M MehrSchool of Chemistry , University of Glasgow , University Avenue, Glasgow G12 8QQ , United Kingdom.ORCID 0000-0001-7710-3102
Andrius BubliauskasSchool of Chemistry , University of Glasgow , University Avenue, Glasgow G12 8QQ , United Kingdom.ORCID 0000-0001-8680-1914
Przemysław FreiSchool of Chemistry , University of Glasgow , University Avenue, Glasgow G12 8QQ , United Kingdom.ORCID 0000-0003-4688-8247
Haralampos N MirasSchool of Chemistry , University of Glasgow , University Avenue, Glasgow G12 8QQ , United Kingdom.ORCID 0000-0002-0086-5173
Leroy CroninSchool of Chemistry , University of Glasgow , University Avenue, Glasgow G12 8QQ , United Kingdom.ORCID 0000-0001-8035-5757

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Traditionally, chemists have relied on years of training and accumulated experience in order to discover new molecules. But the space of possible molecules is so vast that only a limited exploration with the traditional methods can be ever possible. This means that many opportunities for the discovery of interesting phenomena have been missed, and in addition, the inherent variability of these phenomena can make them difficult to control and understand. The current state-of-the-art is moving toward the development of automated and eventually fully autonomous systems coupled with in-line analytics and decision-making algorithms. Yet even these, despite the substantial progress achieved recently, still cannot easily tackle large combinatorial spaces, as they are limited by the lack of high-quality data. Herein, we explore the utility of active learning methods for exploring the chemical space by comparing the collaboration between human experimenters with an algorithm-based search against their performance individually to probe the self-assembly and crystallization of the polyoxometalate cluster Na

Indexed as

Machine LearningModels, ChemicalComputational ChemistryCrystallizationHumansInorganic ChemicalsPolyoxometalatesRoboticsTungsten CompoundsInorganic Chemicalspolyoxometalate IPolyoxometalatesTungsten Compounds

Identifiers

PMID31025861
PMCPMC6593393

What OpenQuestion holds

Textmetadata
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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.