ReviewCurrent opinion in chemical biology2022
Emerging frontiers in virtual drug discovery: From quantum mechanical methods to deep learning approaches.
Review in Current opinion in chemical biology, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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.
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.
Who cites it
15 citing papers in PubMed.
- Chemical Distance-Based Acceleration of Large Library Docking with ChemSTEP.ACS central science · 2026Article
- Vancomycin resistance in gram-positive infections: evolutionary strategies of survival.Archives of microbiology · 2026Review
- Artificial Intelligence in Pharmaceutical Drug Development: Transforming Formulation and Innovation.Current drug discovery technologies · 2026Review
- Article
- The impact of library size and scale of testing on virtual screening.Nature chemical biology · 2025Article
- Discovery of Small Molecules Targeting Norovirus 3CL Protease by Multi-Stage Virtual Screening.International journal of molecular sciences · 2025Article
- A prescription for engineering PFAS biodegradation.The Biochemical journal · 2024Review
- Advances in methods and concepts provide new insight into antibiotic fluxes across the bacterial membrane.Communications biology · 2024Article
- The impact of Library Size and Scale of Testing on Virtual Screening.bioRxiv : the preprint server for biology · 2024Article
- Integrating artificial intelligence into the modernization of traditional Chinese medicine industry: a review.Frontiers in pharmacology · 2024Review
- Protein aggregation and therapeutic strategies in SOD1- and TDP-43- linked ALS.Frontiers in molecular biosciences · 2024Review
- The role of artificial intelligence in drug screening, drug design, and clinical trials.Frontiers in pharmacology · 2024Review
- Artificial intelligence enabled ChatGPT and large language models in drug target discovery, drug discovery, and development.Molecular therapy. Nucleic acids · 2023Article
- Past, Present, and Future Perspectives on Computer-Aided Drug Design Methodologies.Molecules (Basel, Switzerland) · 2023Review
- On the importance for drug discovery of a transnational Latin American database of natural compound structures.Frontiers in pharmacology · 2023Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
Abstract
Virtual screening-based approaches to discover initial hit and lead compounds have the potential to reduce both the cost and time of early drug discovery stages, as well as to find inhibitors for even challenging target sites such as protein-protein interfaces. Here in this review, we provide an overview of the progress that has been made in virtual screening methodology and technology on multiple fronts in recent years. The advent of ultra-large virtual screens, in which hundreds of millions to billions of compounds are screened, has proven to be a powerful approach to discover highly potent hit compounds. However, these developments are just the tip of the iceberg, with new technologies and methods emerging to propel the field forward. Examples include novel machine-learning approaches, which can reduce the computational costs of virtual screening dramatically, while progress in quantum-mechanical approaches can increase the accuracy of predictions of various small molecule properties.
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What OpenQuestion holds
Registered trials
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.