Evidence map›Paper›PMID 30108982›Full record

ArticleMedChemComm2018

Discovery of indoleamine 2,3-dioxygenase inhibitors using machine learning based virtual screening.

Hongao Zhang, Wei Liu, Zhihong Liu, Yingchen Ju, Mengyang Xu, Yue Zhang, Xinyu Wu, Qiong Gu, Zhong Wang, Jun Xu

Abstract read
In one paragraph

Article in MedChemComm, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.

0numbers the graph read from it
0cells of the map it votes in
11citing 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

11 citing papers in PubMed.

  1. Review
  2. Article
  3. Review
  4. Article
  5. Review
  6. Review
  7. Review
  8. A review on machine learning approaches and trends in drug discovery.Computational and structural biotechnology journal · 2021
    Review
  9. Article
  10. Review
  11. 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

10 authors.

Hongao ZhangResearch Center for Drug Discovery , School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , China . Email: guqiong@mail.sysu.edu.cn ; Email: wangzh357@mail.sysu.edu.cn ; Email: junxu@biochemomes.com.
Wei LiuResearch Center for Drug Discovery , School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , China . Email: guqiong@mail.sysu.edu.cn ; Email: wangzh357@mail.sysu.edu.cn ; Email: junxu@biochemomes.com.
Zhihong LiuResearch Center for Drug Discovery , School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , China . Email: guqiong@mail.sysu.edu.cn ; Email: wangzh357@mail.sysu.edu.cn ; Email: junxu@biochemomes.com.
Yingchen JuResearch Center for Drug Discovery , School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , China . Email: guqiong@mail.sysu.edu.cn ; Email: wangzh357@mail.sysu.edu.cn ; Email: junxu@biochemomes.com.
Mengyang XuResearch Center for Drug Discovery , School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , China . Email: guqiong@mail.sysu.edu.cn ; Email: wangzh357@mail.sysu.edu.cn ; Email: junxu@biochemomes.com.
Yue ZhangResearch Center for Drug Discovery , School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , China . Email: guqiong@mail.sysu.edu.cn ; Email: wangzh357@mail.sysu.edu.cn ; Email: junxu@biochemomes.com.
Xinyu WuResearch Center for Drug Discovery , School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , China . Email: guqiong@mail.sysu.edu.cn ; Email: wangzh357@mail.sysu.edu.cn ; Email: junxu@biochemomes.com.
Qiong GuResearch Center for Drug Discovery , School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , China . Email: guqiong@mail.sysu.edu.cn ; Email: wangzh357@mail.sysu.edu.cn ; Email: junxu@biochemomes.com.ORCID 0000-0001-6011-3697
Zhong WangResearch Center for Drug Discovery , School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , China . Email: guqiong@mail.sysu.edu.cn ; Email: wangzh357@mail.sysu.edu.cn ; Email: junxu@biochemomes.com.
Jun XuResearch Center for Drug Discovery , School of Pharmaceutical Sciences , Sun Yat-sen University , Guangzhou 510006 , China . Email: guqiong@mail.sysu.edu.cn ; Email: wangzh357@mail.sysu.edu.cn ; Email: junxu@biochemomes.com.ORCID 0000-0002-1075-0337

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Indoleamine 2,3-dioxygenase (IDO), an immune checkpoint, is a promising target for cancer immunotherapy. However, current IDO inhibitors are not approved for clinical use yet; therefore, new IDO inhibitors are still demanded. To identify new IDO inhibitors, we have built naive Bayesian (NB) and recursive partitioning (RP) models from a library of known IDO inhibitors derived from recent publications. Thirteen molecular fingerprints were used as descriptors for the models to predict IDO inhibitors. An in-house compound library was virtually screened using the best machine learning model, which resulted in 50 hits for further enzyme-based IDO inhibitory assays. Consequently, we identified three new IDO inhibitors with IC

Identifiers

PMID30108982
PMCPMC6071933

What OpenQuestion holds

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Read underepoch 390

Registered trials

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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.