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Evaluating Chemical Structure Similarity as an Indicator of Cellular Growth Inhibition

https://doi.org/10.1021/ci0501544
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What this work says

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

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Methods and Principles in Medicinal Chemistry
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Conformational changes of small molecules binding to proteins
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Structural analysis of inhibitor binding to HIV-1 protease: identification of a common binding motif
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Comparison of the NCI Open Database with Seven Large Chemical Structural Databases
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On the Properties of Bit String-Based Measures of Chemical Similarity
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Mining the National Cancer Institute's Tumor-Screening Database: Identification of Compounds with Similar Cellular Activities
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Deriving Knowledge through Data Mining High-Throughput Screening Data
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Evolving approaches to cancer drug discovery and development at the National Cancer Institute, USA
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Influence of 2-(4-aminophenyl)benzothiazoles on growth of human ovarian carcinoma cells in vitro and in vivo
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Pharmacogenomic analysis: correlating molecular substructure classes with microarray gene expression data
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Similarity-based approaches to virtual screening
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Biological spectra analysis: Linking biological activity profiles to molecular structure
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Chemosensitivity prediction by transcriptional profiling
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Development of the Proteasome Inhibitor Velcade™ (Bortezomib)
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Display and Analysis of Patterns of Differential Activity of Drugs Against Human Tumor Cell Lines: Development of Mean Graph and COMPARE Algorithm
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Feasibility of a High-Flux Anticancer Drug Screen Using a Diverse Panel of Cultured Human Tumor Cell Lines
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Effects of a Low-Fat Diet on Levels of Oxidative Damage to DNA in Human Peripheral Nucleated Blood Cells
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Identification of Epidermal Growth Factor Receptor and c-erbB2 Pathway Inhibitors by Correlation With Gene Expression Patterns
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Post-therapy Serum Prostate-Specific Antigen Level and Survival in Patients With Androgen-Independent Prostate Cancer
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P-Glycoprotein Substrates and Antagonists Cluster into Two Distinct Groups
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An Information-Intensive Approach to the Molecular Pharmacology of Cancer
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Chemosensitivity profile of cancer cell lines and identification of genes determining chemosensitivity by an integrated bioinformatical approach using cDNA arrays
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Generation of a drug resistance profile by quantitation of mdr-1/P-glycoprotein in the cell lines of the National Cancer Institute Anticancer Drug Screen.
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On the information content of 2D and 3D descriptors for QSAR

What points at this work

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

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Utilizing Omics Data for Chemical Grouping
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Comparison of structure fingerprint and molecular interaction field based methods in explaining biological similarity of small molecules in cell-based screens
inferred← citeshttps://doi.org/10.1007/s11095-007-9285-5openalex-snapshot
A Cheminformatic Toolkit for Mining Biomedical Knowledge
inferred← citeshttps://doi.org/10.1016/j.ajpath.2014.04.002openalex-snapshot
Identification and Characterization of a Novel Small-Molecule Inhibitor of β-Catenin Signaling
inferred← citeshttps://doi.org/10.1016/j.ddtec.2006.12.008openalex-snapshot
In silico target fishing: Predicting biological targets from chemical structure
inferred← citeshttps://doi.org/10.1016/j.drudis.2006.08.001openalex-snapshot
Does structural similarity reflect biological activity?
inferred← citeshttps://doi.org/10.1016/j.tips.2007.10.015openalex-snapshot
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Chemoinformatic Analysis of NCI Preclinical Tumor Data: Evaluating Compound Efficacy from Mouse Xenograft Data, NCI-60 Screening Data, and Compound Descriptors
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Discovery of Novel Myc−Max Heterodimer Disruptors with a Three-Dimensional Pharmacophore Model
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Locally Weighted Learning Methods for Predicting Dose-Dependent Toxicity with Application to the Human Maximum Recommended Daily Dose
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The Expanding Role of Predictive Toxicology: An Update on the (Q)SAR Models for Mutagens and Carcinogens
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A Novel Benzodioxole-Containing Inhibitor of Toxoplasma gondii Growth Alters the Parasite Cell Cycle
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Development of novel NEMO-binding domain mimetics for inhibiting IKK/NF-κB activation
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In Silico Elucidation of the Molecular Mechanism Defining the Adverse Effect of Selective Estrogen Receptor Modulators
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In Silico Elucidation of the Molecular Mechanism Defining the Adverse Effect of Selective Estrogen Receptor Modulators
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Efficient calculation of compound similarity based on maximum common subgraphs and its application to prediction of gene transcript levels
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