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Characterizing the Diversity and Biological Relevance of the MLPCN Assay Manifold and Screening Set

https://doi.org/10.1021/ci1003015
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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The art and practice of structure-based drug design: A molecular modeling perspective
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A general method applicable to the search for similarities in the amino acid sequence of two proteins
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‘Metabolite-likeness’ as a criterion in the design and selection of pharmaceutical drug libraries
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries
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Comparison of Similarity Coefficients for Clustering and Compound Selection
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Lethality and centrality in protein networks
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Evidence for dynamically organized modularity in the yeast protein–protein interaction network
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Towards a proteome-scale map of the human protein–protein interaction network
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Emergent behavior of growing knowledge about molecular interactions
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Drug—target network
inferredcites →https://doi.org/10.1038/nchembio.180openalex-snapshot
Quantifying biogenic bias in screening libraries
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A crowdsourcing evaluation of the NIH chemical probes
inferredcites →https://doi.org/10.1038/nrd1470openalex-snapshot
Can the pharmaceutical industry reduce attrition rates?
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Network biology: understanding the cell's functional organization
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Online Predicted Human Interaction Database
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Computing topological parameters of biological networks
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A survey of across-target bioactivity results of small molecules in PubChem
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KEGG: Kyoto Encyclopedia of Genes and Genomes
inferredcites →https://doi.org/10.1093/nar/28.1.27openalex-snapshot
KEGG: Kyoto Encyclopedia of Genes and Genomes
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DrugBank: a comprehensive resource for in silico drug discovery and exploration
inferredcites →https://doi.org/10.1093/nar/gkl817openalex-snapshot
UniHI: an entry gate to the human protein interactome
inferredcites →https://doi.org/10.1093/nar/gkm958openalex-snapshot
DrugBank: a knowledgebase for drugs, drug actions and drug targets
inferredcites →https://doi.org/10.1093/nar/gkn841openalex-snapshot
UniHI 4: new tools for query, analysis and visualization of the human protein–protein interactome
inferredcites →https://doi.org/10.1101/gr.1239303openalex-snapshot
Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks
inferredcites →https://doi.org/10.1126/science.1091867openalex-snapshot
The NIH Roadmap
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NIH Molecular Libraries Initiative
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Drug Discovery: A Historical Perspective
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Software for chemical diversity in the context of accelerated drug discovery
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Estimating The Cost Of New Drug Development: Is It Really $802 Million?
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Recent Developments in Lipid Drugs

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Finding the Middle Ground: Drug Discovery Technology in the Era of Academic Screening Centers
inferred← citeshttps://doi.org/10.1002/9781118778166.ch8openalex-snapshot
Trends in the Public Sector Adoption of Translational Research Approaches
inferred← citeshttps://doi.org/10.1007/s11306-014-0733-zopenalex-snapshot
A ‘rule of 0.5’ for the metabolite-likeness of approved pharmaceutical drugs
inferred← citeshttps://doi.org/10.1016/b978-0-12-801814-9.00010-6openalex-snapshot
Chemical Informatics
inferred← citeshttps://doi.org/10.1016/j.aca.2013.10.050openalex-snapshot
An efficient algorithm coupled with synthetic minority over-sampling technique to classify imbalanced PubChem BioAssay data
inferred← citeshttps://doi.org/10.1016/j.pisc.2015.06.004openalex-snapshot
The transporter-mediated cellular uptake of pharmaceutical drugs is based on their metabolite-likeness and not on their bulk biophysical properties: Towards a systems pharmacology
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Discovery of an enzyme and substrate selective inhibitor of ADAM10 using an exosite-binding glycosylated substrate
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Large-scale bioactivity analysis of the small-molecule assayed proteome
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How drugs get into cells: tested and testable predictions to help discriminate between transporter-mediated uptake and lipoidal bilayer diffusion
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Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolites
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In Vivo Acute Toxicity Studies of Novel Anti-Melanoma Compounds Downregulators of hnRNPH1/H2
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