Nat Commun April 2023 PMID 37031208

Predicting compound activity from phenotypic profiles and chemical structures.

Nikita Moshkov, Tim Becker, Kevin Yang, Peter Horvath, Vlado Dancik, Bridget K Wagner, Paul A Clemons, Shantanu Singh, Anne E Carpenter, Juan C Caicedo

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Peak: 11 in Dec 2020

across 3 sources since Dec 2020

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The group generally agrees that integrating phenotypic profiles with chemical structures enhances compound activity prediction, with discussions highlighting keywords like 'predicting activity,' 'bioinformatics,' and 'machine learning.' The tone is professional and focused on technical impact, reflecting a shared recognition of the research's importance and potential influence.

AgreementModerate agreement

Most discussions acknowledge the significance of the research, with some expressing support or positive commentary.

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The social discussions reflect a moderate level of interest, often mentioning technical aspects and potential applications.

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Participants engage by sharing examples, using hashtags, and referencing related concepts like machine learning and bioinformatics.

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The conversations indicate that the publication is viewed as impactful within the scientific community, noted for its technological advancements.

Abstract in brief

The study compares three types of data—chemical structures, imaging (Cell Painting), and gene expression—to predict whether compounds will be active in various tests, with combined data improving prediction success.
Using all three data sources together can accurately predict about 21% of assays, which is 2 to 3 times better than using just one type, like chemical structures alone.
Incorporating phenotypic data (like imaging and gene expression) alongside chemical structures can significantly increase the ability to predict compound activity, helping speed up early drug discovery efforts.]

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Enhancing Compound Activity Prediction Using Phenotypic and Structural Data

This study compares chemical structures, imaging, and gene expression data to improve prediction of compound activity. Combining all three sources significantly enhances predictive accuracy, aiding early drug discovery…

STEM RTCL TV · Jul 24, 2023 9 views

kwh_rd100

@KwhRd100 · X

表現型プロファイルと化学構造から化合物の活性を予測　化学構造(Chemprop)、イメージング (細胞ペインティング)および遺伝子表現プロファイル (L1000) の3つを入力として、化合物の生物活性を予測できる、最大 3つの隠れ層とReLU 活性化関数で構成されたMLP。実装あり。https://t.co/qw9a5EpkcD

Apr 30, 2023 · 286 followers View post →

SysBio-Szeged

@SysbioS · X

RT @BiologicalRese1: Collaborative paper by @nick_moshkov and @hpke1980 is out in @NatureComms: Predicting compound activity from phenotypi…

Apr 13, 2023 · 2 shares · 251 followers View post →

BRC Biochem

@BiochemBrc · X

RT @BiologicalRese1: Collaborative paper by @nick_moshkov and @hpke1980 is out in @NatureComms: Predicting compound activity from phenotypi…

Apr 12, 2023 · 2 shares · 200 followers View post →

HUN-REN Biological Research Centre, Szeged

@BiologicalRese1 · X

Apr 12, 2023 · 4 likes · 2 shares · 345 followers View post →

Transcriptomes

@transcriptomes · X

Predicting compound activity from phenotypic profiles and chemical structures. https://t.co/iMIjOklZQT

Apr 9, 2023 · 1,809 followers View post →

DTHSTR

@CDADeathStar · X

Predicting compound activity from phenotypic profiles and chemical structures null https://t.co/Vk5LNzHxLO #DTHSTR

Apr 8, 2023 · 113 followers View post →

Paul Lopez

@lopezunwired · X

Predicting compound activity from phenotypic profiles and chemical structures https://t.co/LiwILkLbdT #MachineLearning #NatureJournal #AI https://t.co/O59Pz11iXy

Apr 8, 2023 · 1 like · 2,480 followers View post →

Reluctant Quant

@DrMattCrowson · X

RT Predicting compound activity from phenotypic profiles and chemical structures https://t.co/JATKNqdsqp https://t.co/stT4ndRjax

Apr 8, 2023 · 1,260 followers View post →

Parantu Shah

@ParantuShah · X

RT @biorxiv_bioinfo: Predicting compound activity from phenotypic profiles and chemical structures https://t.co/eZ7Hui3tGs #biorxiv_bioinfo

Dec 18, 2020 · 6 shares · 38 followers View post →

Rintu Kutum

@rintukutum · X

RT @biorxiv_bioinfo: Predicting compound activity from phenotypic profiles and chemical structures https://t.co/eZ7Hui3tGs #biorxiv_bioinfo

Dec 17, 2020 · 6 shares · 1,259 followers View post →

Helio Rocha

@_elioRocha · X

#bioRxiv Predicting compound activity from phenotypic profiles and chemical structures #bioinfo https://t.co/HSZ8xNdzQT

Dec 17, 2020 · 609 followers View post →

Big Data News

@TT_BigData · X

Predicting compound activity from phenotypic profiles and chemical structures | bioRxiv https://t.co/C0XAAdOFQh, see more https://t.co/rZAoVHQvUa

Dec 16, 2020 · 157 followers View post →

#RaviVisvesvarayaSharadaPrasad #Telecom #InfoTech

@rvp · X

#BigData #Analytics @rvp @7GTech @5GAIoT Predicting compound activity from phenotypic profiles and chemical structures | bioRxiv https://t.co/d4dz0S4ZYT, see more https://t.co/fcN49LZyPG

Dec 16, 2020 · 4,879 followers View post →

Sigve Nakken

@sigven · X

RT @biorxiv_bioinfo: Predicting compound activity from phenotypic profiles and chemical structures https://t.co/eZ7Hui3tGs #biorxiv_bioinfo

Dec 16, 2020 · 6 shares · 240 followers View post →

Andres Jose Nevarez, Ph.D.

@TechnicolorDres · X

RT @biorxiv_bioinfo: Predicting compound activity from phenotypic profiles and chemical structures https://t.co/eZ7Hui3tGs #biorxiv_bioinfo

Dec 16, 2020 · 6 shares · 123 followers View post →

Evangelia Petsalaki

@e_petsalaki · X

RT @biorxiv_bioinfo: Predicting compound activity from phenotypic profiles and chemical structures https://t.co/eZ7Hui3tGs #biorxiv_bioinfo

Dec 16, 2020 · 6 shares · 1,849 followers View post →

Anthony Gitter

@anthonygitter · X

RT @biorxiv_bioinfo: Predicting compound activity from phenotypic profiles and chemical structures https://t.co/eZ7Hui3tGs #biorxiv_bioinfo

Dec 16, 2020 · 6 shares · 2,728 followers View post →

bioRxiv Bioinfo

@biorxiv_bioinfo · X

Predicting compound activity from phenotypic profiles and chemical structures https://t.co/eZ7Hui3tGs #biorxiv_bioinfo

Dec 16, 2020 · 22 likes · 6 shares · 18,068 followers View post →

bioRxiv

@biorxivpreprint · X

Predicting compound activity from phenotypic profiles and chemical structures https://t.co/ZGG5YwnENX #bioRxiv

Dec 16, 2020 · 1 like · 136,937 followers View post →

Predicting compound activity from phenotypic profiles and chemical structures.

Mentions per month

Where it's discussed

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Abstract in brief

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All mentions

Enhancing Compound Activity Prediction Using Phenotypic and Structural Data