Evidence map›Paper›PMID 36306797›Full record

ReviewCell reports. Medicine2022

Deep generative molecular design reshapes drug discovery.

Xiangxiang Zeng, Fei Wang, Yuan Luo, Seung-Gu Kang, Jian Tang, Felice C Lightstone, Evandro F Fang, Wendy Cornell, Ruth Nussinov, Feixiong Cheng

Abstract readReview
In one paragraph

Review in Cell reports. Medicine, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 102 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
102citing papers in PubMed, 1 pooled it
–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

102 citing papers in PubMed, 1 synthesis or guideline pooled it.

  1. Pooled it
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  17. Multi-View Biomedical Foundation Models for Molecule-Target and Property Prediction.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Article
  18. Review
  19. ChatGPT in precision medicine.APL bioengineering · 2026
    Review
  20. Article

42 more citing papers are in PubMed but not listed here.

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.

Xiangxiang ZengCollege of Computer Science and Electronic Engineering, Hunan University, Changsha, Hunan 410082, P.R. China.
Fei WangDepartment of Population Health Sciences, Weill Cornell Medical College, Cornell University, New York, NY 10065, USA.
Yuan LuoDivision of Health and Biomedical Informatics, Department of Preventive Medicine, Feinberg School of Medicine, Northwestern University, Chicago, IL 60611, USA.
Seung-Gu KangHealthcare & Life Sciences Research, IBM TJ Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY 10598, USA.
Jian TangMila-Quebec Institute for Learning Algorithms and CIFAR AI Research Chair, HEC Montreal, Montréal, QC H3T 2A7, Canada.
Felice C LightstoneBiosciences and Biotechnology Division, Physical and Life Sciences Directorate, Lawrence Livermore National Lab, Livermore, CA 94550, USA.
Evandro F FangDepartment of Clinical Molecular Biology, University of Oslo and Akershus University Hospital, 1478 Lørenskog, Oslo, Norway; The Norwegian Centre on Healthy Ageing (NO-Age), Oslo, Norway.
Wendy CornellHealthcare & Life Sciences Research, IBM TJ Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY 10598, USA.
Ruth NussinovComputational Structural Biology Section, Frederick National Laboratory for Cancer Research in the Laboratory of Cancer Immunometabolism, National Cancer Institute, Frederick, MD 21702, USA; Department of Human Molecular Genetics and Biochemistry, Sackler School of Medicine, Tel Aviv University, Tel Aviv 69978, Israel.
Feixiong ChengGenomic Medicine Institute, Lerner Research Institute, Cleveland Clinic, Cleveland, OH 44195, USA; Department of Molecular Medicine, Cleveland Clinic Lerner College of Medicine, Case Western Reserve University, Cleveland, OH 44195, USA; Case Comprehensive Cancer Center, Case Western Reserve University School of Medicine, Cleveland, OH 44106, USA. Electronic address: chengf@ccf.org.

Funding

NCI NIH HHS HHSN261201500003CNCI NIH HHS HHSN261201500003I
6 · The paper itself

Abstract

Recent advances and accomplishments of artificial intelligence (AI) and deep generative models have established their usefulness in medicinal applications, especially in drug discovery and development. To correctly apply AI, the developer and user face questions such as which protocols to consider, which factors to scrutinize, and how the deep generative models can integrate the relevant disciplines. This review summarizes classical and newly developed AI approaches, providing an updated and accessible guide to the broad computational drug discovery and development community. We introduce deep generative models from different standpoints and describe the theoretical frameworks for representing chemical and biological structures and their applications. We discuss the data and technical challenges and highlight future directions of multimodal deep generative models for accelerating drug discovery.

Indexed as

Artificial IntelligenceDrug Discovery

Identifiers

PMID36306797
PMCPMC9797947

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
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.