Evidence map›Paper›PMID 35559261›Full record

ArticleFrontiers in pharmacology2022

Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets.

Vishwesh Venkatraman, Thomas H Colligan, George T Lesica, Daniel R Olson, Jeremiah Gaiser, Conner J Copeland, Travis J Wheeler, Amitava Roy

Abstract read
In one paragraph

Article in Frontiers in pharmacology, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing 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

6 citing papers in PubMed.

  1. Review
  2. Article
  3. Article
  4. Article
  5. Large-Scale Docking in the Cloud.Journal of chemical information and modeling · 2023
    Article
  6. 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

8 authors.

Vishwesh VenkatramanDepartment of Chemistry, Norwegian University of Science and Technology, Trondheim, Norway.
Thomas H ColliganDepartment of Computer Science, University of Montana, Missoula, MT, United States.
George T LesicaDepartment of Computer Science, University of Montana, Missoula, MT, United States.
Daniel R OlsonDepartment of Computer Science, University of Montana, Missoula, MT, United States.
Jeremiah GaiserDepartment of Computer Science, University of Montana, Missoula, MT, United States.
Conner J CopelandDepartment of Computer Science, University of Montana, Missoula, MT, United States.
Travis J WheelerDepartment of Computer Science, University of Montana, Missoula, MT, United States.
Amitava RoyDepartment of Computer Science, University of Montana, Missoula, MT, United States.

Funding

Machine learning approaches for improved accuracy and speed in sequence annotation: supplement for software enhancementR01GM132600 · NIGMS · UNIVERSITY OF MONTANA · PI WHEELER, TRAVIS JOHN · 2019 to 2022
$1.4M
NIGMS NIH HHS R01 GM132600
6 · The paper itself

Abstract

The SARS-CoV2 pandemic has highlighted the importance of efficient and effective methods for identification of therapeutic drugs, and in particular has laid bare the need for methods that allow exploration of the full diversity of synthesizable small molecules. While classical high-throughput screening methods may consider up to millions of molecules, virtual screening methods hold the promise of enabling appraisal of billions of candidate molecules, thus expanding the search space while concurrently reducing costs and speeding discovery. Here, we describe a new screening pipeline, called

Indexed as

computer aided drug designde novo designmachine learningprotein-ligand dockingSARS-C0V-2virtual screeening

Identifiers

PMID35559261
PMCPMC9086895

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.