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Record W4378498767 · doi:10.48550/arxiv.2305.15453

Drugst.One -- A plug-and-play solution for online systems medicine and network-based drug repurposing

2023· preprint· en· W4378498767 on OpenAlexfundno aff
Andreas Maier, Michael Hartung, Mark Abovsky, Klaudia Adamowicz, Gary D. Bader, Sylvie Baier, David B. Blumenthal, Jing Chen, Maria L. Elkjaer, Carlos Felipe García-Hernández, Markus Hoffmann, Igor Jurišica, Max Kotlyar, Olga Lazareva, Hagai Levi, Markus List, Sebastian Lobentanzer, Joseph Loscalzo, Noël Malod‐Dognin, Quirin Manz, Julian Matschinske, Mhaned Oubounyt, Alexander R. Pico, Rudolf Pillich, Julian Poschenrieder, Dexter Pratt, Nataša Pržulj, Sepideh Sadegh, Julio Sáez-Rodríguez, Gideon M. Shaked, Ron Shamir, Nico Trummer, Ugur Turhan, Rui‐Sheng Wang, О. А. Золотарева, Jan Baumbach

Bibliographic record

VenuearXiv (Cornell University) · 2023
Typepreprint
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicBioinformatics and Genomic Networks
Canadian institutionsnot available
FundersAgencia Estatal de InvestigaciónNational Institute of Diabetes and Digestive and Kidney DiseasesStaatssekretariat für Bildung, Forschung und InnovationEuropean CommissionNatural Sciences and Engineering Research Council of CanadaBundesministerium für Bildung und ForschungDeutsche Forschungsgemeinschaft
KeywordsRepurposingDrug repositioningComputer scienceData scienceDrug discoveryPlug-inSystems medicineProcess (computing)Systems biologyBiological networkSoftwareAdaptabilitySoftware engineeringDrugEngineeringBioinformaticsMedicinePharmacology

Abstract

fetched live from OpenAlex

In recent decades, the development of new drugs has become increasingly expensive and inefficient, and the molecular mechanisms of most pharmaceuticals remain poorly understood. In response, computational systems and network medicine tools have emerged to identify potential drug repurposing candidates. However, these tools often require complex installation and lack intuitive visual network mining capabilities. To tackle these challenges, we introduce Drugst.One, a platform that assists specialized computational medicine tools in becoming user-friendly, web-based utilities for drug repurposing. With just three lines of code, Drugst.One turns any systems biology software into an interactive web tool for modeling and analyzing complex protein-drug-disease networks. Demonstrating its broad adaptability, Drugst.One has been successfully integrated with 21 computational systems medicine tools. Available at https://drugst.one, Drugst.One has significant potential for streamlining the drug discovery process, allowing researchers to focus on essential aspects of pharmaceutical treatment research.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.002
metaresearch head score (Gemma)0.005
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Software · Consensus signal: Software
Teacher disagreement score0.053
Threshold uncertainty score0.177

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0020.005
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0010.002
Bibliometrics0.0020.001
Science and technology studies0.0010.001
Scholarly communication0.0020.003
Open science0.0030.004
Research integrity0.0010.003
Insufficient payload (model declined to judge)0.0530.027

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.067
GPT teacher head0.209
Teacher spread0.142 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreSoftware

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations4
Published2023
Admission routes1
Has abstractyes

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