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ColBioS-FlavRC: A Collection of Bioselective Flavonoids and Related Compounds Filtered from High-Throughput Screening Outcomes

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What this work says

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

inferredcites →https://doi.org/10.1002/biof.5520260303openalex-snapshot

An integrated database of flavonoids

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Biotechnology of flavonoids and other phenylpropanoid‐derived natural products. Part I: Chemical diversity, impacts on plant biology and human health

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PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints

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PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

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Bias, reporting, and sharing: computational evaluations of docking methods

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How to do an evaluation: pitfalls and traps

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What do we know and when do we know it?

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Retrospective group fusion similarity search based on eROCE evaluation metric

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Apparent activity in high-throughput screening: origins of compound-dependent assay interference

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Pharmacophore modeling and applications in drug discovery: challenges and recent advances

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Investigation of the incidence of “undesirable” molecular moieties for high-throughput screening compound libraries in marketed drug compounds

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1

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Reactive compounds and in vitro false positives in HTS

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Oral bioavailability of quercetin from different quercetin glycosides in dogs

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The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics

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Relationships between Molecular Complexity, Biological Activity, and Structural Diversity

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Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database

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PLS-DA - Docking Optimized Combined Energetic Terms (PLSDA-DOCET) Protocol: A Brief Evaluation

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Structural Insights into the Molecular Basis of the Ligand Promiscuity

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Conformer Generation with OMEGA: Learning from the Data Set and the Analysis of Failures

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Maximum Unbiased Validation (MUV) Data Sets for Virtual Screening Based on PubChem Bioactivity Data

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A New Atom-Additive Method for Calculating Partition Coefficients

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Prediction of Drug Absorption Using Multivariate Statistics

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Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

inferredcites →https://doi.org/10.1021/jm010533yopenalex-snapshot

A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening

inferredcites →https://doi.org/10.1021/jm010934dopenalex-snapshot

Development of a Virtual Screening Method for Identification of “Frequent Hitters” in Compound Libraries

inferredcites →https://doi.org/10.1021/jm020017nopenalex-snapshot

Molecular Properties That Influence the Oral Bioavailability of Drug Candidates

inferredcites →https://doi.org/10.1021/jm030191ropenalex-snapshot

Identification and Prediction of Promiscuous Aggregating Inhibitors among Known Drugs

inferredcites →https://doi.org/10.1021/jm030266ropenalex-snapshot

A Specific Mechanism of Nonspecific Inhibition

inferredcites →https://doi.org/10.1021/jm030563wopenalex-snapshot

Conformational Analysis of Drug-Like Molecules Bound to Proteins: An Extensive Study of Ligand Reorganization upon Binding

inferredcites →https://doi.org/10.1021/jm0608356openalex-snapshot

Benchmarking Sets for Molecular Docking

inferredcites →https://doi.org/10.1021/jm061317yopenalex-snapshot

A High-Throughput Screen for Aggregation-Based Inhibition in a Large Compound Library

inferredcites →https://doi.org/10.1021/jm701301mopenalex-snapshot

Fluorescence Spectroscopic Profiling of Compound Libraries

inferredcites →https://doi.org/10.1021/jm701302vopenalex-snapshot

Characterization of Chemical Libraries for Luciferase Inhibitory Activity

inferredcites →https://doi.org/10.1021/jm8014525openalex-snapshot

A Basis for Reduced Chemical Library Inhibition of Firefly Luciferase Obtained from Directed Evolution

inferredcites →https://doi.org/10.1021/jm801605ropenalex-snapshot

Promiscuous Aggregate-Based Inhibitors Promote Enzyme Unfolding

inferredcites →https://doi.org/10.1021/jm901070copenalex-snapshot

Quantitative Analyses of Aggregation, Autofluorescence, and Reactivity Artifacts in a Screen for Inhibitors of a Thiol Protease

inferredcites →https://doi.org/10.1038/nchembio.2007.17openalex-snapshot

High-throughput screening assays for the identification of chemical probes

inferredcites →https://doi.org/10.1038/nprot.2006.77openalex-snapshot

A detergent-based assay for the detection of promiscuous inhibitors

inferredcites →https://doi.org/10.1073/pnas.0604348103openalex-snapshot

Quantitative high-throughput screening: A titration-based approach that efficiently identifies biological activities in large chemical libraries

inferredcites →https://doi.org/10.1093/ajcn/74.4.418openalex-snapshot

Flavonoids: a review of probable mechanisms of action and potential applications

inferredcites →https://doi.org/10.1093/nar/gkl999openalex-snapshot

BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

inferredcites →https://doi.org/10.1093/nar/gkp456openalex-snapshot

PubChem: a public information system for analyzing bioactivities of small molecules

inferredcites →https://doi.org/10.1093/nar/gkr981openalex-snapshot

Reorganizing the protein space at the Universal Protein Resource (UniProt)

inferredcites →https://doi.org/10.1111/j.1747-0285.2006.00384.xopenalex-snapshot

PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching

inferredcites →https://doi.org/10.1148/radiology.143.1.7063747openalex-snapshot

The meaning and use of the area under a receiver operating characteristic (ROC) curve.

inferredcites →https://doi.org/10.1198/000313006x118430openalex-snapshot

A Lego System for Conditional Inference

inferredcites →https://doi.org/10.1351/pac199870051129openalex-snapshot

Glossary of terms used in medicinal chemistry (IUPAC Recommendations 1998)

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Quantitative High-Throughput Screening Identifies 8-Hydroxyquinolines as Cell-Active Histone Demethylase Inhibitors

inferredcites →https://doi.org/10.1371/journal.pone.0018033openalex-snapshot

Enhancement of Naringenin Bioavailability by Complexation with Hydroxypropoyl-β-Cyclodextrin

inferredcites →https://doi.org/10.1517/17460441.2011.561309openalex-snapshot

Non-stoichiometric inhibition in biochemical high-throughput screening

inferredcites →https://doi.org/10.18637/jss.v028.i08openalex-snapshot

Implementing a Class of Permutation Tests: The coin Package

inferredcites →https://doi.org/10.2174/138955709787001712openalex-snapshot

Distribution and Biological Activities of the Flavonoid Luteolin

inferredcites →https://doi.org/10.2307/2986146openalex-snapshot

Remark AS R94: A Remark on Algorithm AS 181: The W-test for Normality

inferredcites →https://doi.org/10.3390/ijms11041321openalex-snapshot

Bioavailability of the Polyphenols: Status and Controversies

What points at this work

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

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Ligand B‐Factor Index: A Metric for Prioritizing Protein‐Ligand Complexes in Docking

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Modeling Kinase Inhibition Using Highly Confident Data Sets

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