Evidence map›Paper›PMID 41516002›Full record

ArticleInternational journal of molecular sciences2025

KRASAVA-An Expert System for Virtual Screening of KRAS G12D Inhibitors.

Oleg V Tinkov, Pavel E Gurevich, Sergei A Nikolenko, Shamil D Kadyrov, Natalya S Bogatyreva, Veniamin Y Grigorev, Dmitry N Ivankov, Marina A Pak

Abstract read
In one paragraph

Article in International journal of molecular sciences, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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.

Oleg V TinkovLigand Pro, Moscow 121205, Russia.ORCID 0000-0003-4702-6825
Pavel E GurevichArtificial Intelligence Center, Moscow 121205, Russia.ORCID 0009-0001-2810-8123
Sergei A NikolenkoLigand Pro, Moscow 121205, Russia.ORCID 0000-0003-1150-9390
Shamil D KadyrovLigand Pro, Moscow 121205, Russia.ORCID 0009-0009-9455-6125
Natalya S BogatyrevaLigand Pro, Moscow 121205, Russia.ORCID 0000-0002-1719-1136
Veniamin Y GrigorevInstitute of Physiologically Active Compounds, Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry, Russian Academy of Sciences, Chernogolovka 142432, Russia.ORCID 0000-0002-5288-3242
Dmitry N IvankovCenter for Molecular and Cellular Biology, Moscow 121205, Russia.ORCID 0000-0002-8224-4118
Marina A PakLigand Pro, Moscow 121205, Russia.ORCID 0000-0003-1075-6509

Funding

Institute of Physiologically Active Compounds of the Russian Academy of Sciences (IPAC RAS) [topic No. FFSG-2024-0019]
6 · The paper itself

Abstract

The development of KRAS G12D inhibitors represents an effective therapeutic strategy for treating oncological pathologies. Existing quantitative structure-activity relationship (QSAR) models for KRAS G12D inhibitors have several limitations, primarily the lack of applicability domain determination and virtual screening implementation. In this study, we propose a set of regression QSAR models for KRAS G12D inhibitors by employing various molecular descriptors and machine learning methods. Our consensus model achieved a

Indexed as

Expert SystemsProto-Oncogene Proteins p21(ras)HumansMachine LearningMolecular Docking SimulationQuantitative Structure-Activity RelationshipKRAS protein, humanProto-Oncogene Proteins p21(ras)machine learningmolecular dockingQSARRDKitstructural interpretation

Identifiers

PMID41516002
PMCPMC12786227

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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.