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dataset chembl  (Biogen Inc)

 
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    Structured Review

    Biogen Inc dataset chembl
    Visualization of chemical space diversity using a t-SNE plot of RDKit molecular descriptors for Biogen (green), <t>ChEMBL</t> (teal), NCATS (purple), AstraZeneca (orange), Polaris (magenta). (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)
    Dataset Chembl, supplied by Biogen Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/dataset+chembl/pmc13170136-210-19-31?v=Biogen+Inc
    Average 86 stars, based on 1 article reviews
    dataset chembl - by Bioz Stars, 2026-07
    86/100 stars

    Images

    1) Product Images from "Assessing the impact of data harmonization on human liver microsomal stability prediction model performance"

    Article Title: Assessing the impact of data harmonization on human liver microsomal stability prediction model performance

    Journal: Results in chemistry

    doi: 10.1016/j.rechem.2026.103305

    Visualization of chemical space diversity using a t-SNE plot of RDKit molecular descriptors for Biogen (green), ChEMBL (teal), NCATS (purple), AstraZeneca (orange), Polaris (magenta). (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)
    Figure Legend Snippet: Visualization of chemical space diversity using a t-SNE plot of RDKit molecular descriptors for Biogen (green), ChEMBL (teal), NCATS (purple), AstraZeneca (orange), Polaris (magenta). (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)

    Techniques Used:



    Similar Products

    dataset chembl  (Biogen Inc)
    86
    Biogen Inc dataset chembl
    Visualization of chemical space diversity using a t-SNE plot of RDKit molecular descriptors for Biogen (green), <t>ChEMBL</t> (teal), NCATS (purple), AstraZeneca (orange), Polaris (magenta). (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)
    Dataset Chembl, supplied by Biogen Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/dataset+chembl/pmc13170136-210-19-31?v=Biogen+Inc
    Average 86 stars, based on 1 article reviews
    dataset chembl - by Bioz Stars, 2026-07
    86/100 stars
    		  Buy from Supplier
    chembl dataset  (ChemAxon LLC)
    90
    ChemAxon LLC chembl dataset
    Visualization of chemical space diversity using a t-SNE plot of RDKit molecular descriptors for Biogen (green), <t>ChEMBL</t> (teal), NCATS (purple), AstraZeneca (orange), Polaris (magenta). (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)
    Chembl Dataset, supplied by ChemAxon LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/dataset+chembl/pmc11423309__au4c00271_si_001-54-0-20?v=ChemAxon+LLC
    Average 90 stars, based on 1 article reviews
    chembl dataset - by Bioz Stars, 2026-07
    90/100 stars
    		  Buy from Supplier
    chembl dataset for fasttargetpred  (Mendeley Ltd)
    90
    Mendeley Ltd chembl dataset for fasttargetpred
    Chemical space . Comparison of the chemical space covered by the extracted <t>ChEMBL</t> bioactive compounds (orange), tetrapeptides (blue) and approved drugs (magenta) obtained after filtering DrugBank 5.0 (downloaded in December 2021). 2509 approved drugs were initially collected but 287 very small compounds (molecules with less than 10 heavy atoms) were removed (e.g., several compounds have only 1 atom). In addition, 124 other molecules (unusual chemistry and some mixtures) were deleted. Six physicochemical properties were computed with DataWarrior and a PCA plot was generated. The explained variance percentage of the first 3 principal components are PCA1: 81.79%, PCA2: 13.27%, PCA3: 2.52%.
    Chembl Dataset For Fasttargetpred, supplied by Mendeley Ltd, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/dataset+chembl/pmc09046614-114-2-8?v=Mendeley+Ltd
    Average 90 stars, based on 1 article reviews
    chembl dataset for fasttargetpred - by Bioz Stars, 2026-07
    90/100 stars
    		  Buy from Supplier
    chembl dataset  (Galapagos NV)
    90
    Galapagos NV chembl dataset
    Chemical space . Comparison of the chemical space covered by the extracted <t>ChEMBL</t> bioactive compounds (orange), tetrapeptides (blue) and approved drugs (magenta) obtained after filtering DrugBank 5.0 (downloaded in December 2021). 2509 approved drugs were initially collected but 287 very small compounds (molecules with less than 10 heavy atoms) were removed (e.g., several compounds have only 1 atom). In addition, 124 other molecules (unusual chemistry and some mixtures) were deleted. Six physicochemical properties were computed with DataWarrior and a PCA plot was generated. The explained variance percentage of the first 3 principal components are PCA1: 81.79%, PCA2: 13.27%, PCA3: 2.52%.
    Chembl Dataset, supplied by Galapagos NV, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/dataset+chembl/pmc02808956-137-8-37?v=Galapagos+NV
    Average 90 stars, based on 1 article reviews
    chembl dataset - by Bioz Stars, 2026-07
    90/100 stars
    		  Buy from Supplier

    Image Search Results


    Visualization of chemical space diversity using a t-SNE plot of RDKit molecular descriptors for Biogen (green), ChEMBL (teal), NCATS (purple), AstraZeneca (orange), Polaris (magenta). (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)

    Journal: Results in chemistry

    Article Title: Assessing the impact of data harmonization on human liver microsomal stability prediction model performance

    doi: 10.1016/j.rechem.2026.103305

    Figure Lengend Snippet: Visualization of chemical space diversity using a t-SNE plot of RDKit molecular descriptors for Biogen (green), ChEMBL (teal), NCATS (purple), AstraZeneca (orange), Polaris (magenta). (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)

    Article Snippet: The single-dataset ChEMBL and single-dataset NCATS models showed comparable performance to each other across all metrics and both the single-dataset ChEMBL and single-dataset NCATS models generally improved with the addition of Biogen data.

    Techniques:

    Chemical space . Comparison of the chemical space covered by the extracted ChEMBL bioactive compounds (orange), tetrapeptides (blue) and approved drugs (magenta) obtained after filtering DrugBank 5.0 (downloaded in December 2021). 2509 approved drugs were initially collected but 287 very small compounds (molecules with less than 10 heavy atoms) were removed (e.g., several compounds have only 1 atom). In addition, 124 other molecules (unusual chemistry and some mixtures) were deleted. Six physicochemical properties were computed with DataWarrior and a PCA plot was generated. The explained variance percentage of the first 3 principal components are PCA1: 81.79%, PCA2: 13.27%, PCA3: 2.52%.

    Journal: Data in Brief

    Article Title: A new ChEMBL dataset for the similarity-based target fishing engine FastTargetPred: Annotation of an exhaustive list of linear tetrapeptides

    doi: 10.1016/j.dib.2022.108159

    Figure Lengend Snippet: Chemical space . Comparison of the chemical space covered by the extracted ChEMBL bioactive compounds (orange), tetrapeptides (blue) and approved drugs (magenta) obtained after filtering DrugBank 5.0 (downloaded in December 2021). 2509 approved drugs were initially collected but 287 very small compounds (molecules with less than 10 heavy atoms) were removed (e.g., several compounds have only 1 atom). In addition, 124 other molecules (unusual chemistry and some mixtures) were deleted. Six physicochemical properties were computed with DataWarrior and a PCA plot was generated. The explained variance percentage of the first 3 principal components are PCA1: 81.79%, PCA2: 13.27%, PCA3: 2.52%.

    Article Snippet: A new ChEMBL dataset for FastTargetPred (Original data) (Mendeley Data).

    Techniques: Comparison, Generated

    Journal: Data in Brief

    Article Title: A new ChEMBL dataset for the similarity-based target fishing engine FastTargetPred: Annotation of an exhaustive list of linear tetrapeptides

    doi: 10.1016/j.dib.2022.108159

    Figure Lengend Snippet:

    Article Snippet: A new ChEMBL dataset for FastTargetPred (Original data) (Mendeley Data).

    Techniques: Drug discovery, Generated, Software, Sequencing, Binding Assay