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CASE Plots for the Chemotype‐Based Activity and Selectivity Analysis: A CASE Study of Cyclooxygenase Inhibitors

https://doi.org/10.1111/cbdd.12019

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What this work says

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

inferredcites →https://doi.org/10.1002/1097-0282(2002)61:2<127::aid-bip10076>3.0.co;2-nopenalex-snapshot

The binding database: Overview and user's guide

inferredcites →https://doi.org/10.1002/minf.201100078openalex-snapshot

Rule‐Based Classification of Chemical Structures by Scaffold

inferredcites →https://doi.org/10.1007/s10555-011-9310-3openalex-snapshot

Cyclooxygenases and lipoxygenases in cancer

inferredcites →https://doi.org/10.1007/s11030-010-9262-5openalex-snapshot

Natural products as DNA methyltransferase inhibitors: a computer-aided discovery approach

inferredcites →https://doi.org/10.1016/j.bmc.2012.04.005openalex-snapshot

Activity landscape modeling of PPAR ligands with dual-activity difference maps

inferredcites →https://doi.org/10.1016/j.drudis.2009.04.003openalex-snapshot

Navigating structure–activity landscapes

inferredcites →https://doi.org/10.1016/j.semcdb.2006.09.001openalex-snapshot

The role of the cylooxygenase pathway in nociception and pain

inferredcites →https://doi.org/10.1016/s0223-5234(01)01197-7openalex-snapshot

Cyclooxygenase inhibitors – current status and future prospects

inferredcites →https://doi.org/10.1016/s1359-6446(97)01079-9openalex-snapshot

QSAR and 3D QSAR in drug design Part 1: methodology

inferredcites →https://doi.org/10.1016/s1359-6446(97)01084-2openalex-snapshot

QSAR and 3D QSAR in drug design Part 2: applications and problems

inferredcites →https://doi.org/10.1021/ci0003911openalex-snapshot

Algorithm for Naming Molecular Equivalence Classes Represented by Labeled Pseudographs

inferredcites →https://doi.org/10.1021/ci025535lopenalex-snapshot

Using Molecular Equivalence Numbers To Visually Explore Structural Features that Distinguish Chemical Libraries

inferredcites →https://doi.org/10.1021/ci200281vopenalex-snapshot

Multitarget Structure–Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure

inferredcites →https://doi.org/10.1021/ci800426uopenalex-snapshot

Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository

inferredcites →https://doi.org/10.1039/c0md00159gopenalex-snapshot

Structure–activity relationships of benzimidazole derivatives as antiparasitic agents: Dual activity-difference (DAD) maps

inferredcites →https://doi.org/10.1039/c0md00188kopenalex-snapshot

Comparison of two- and three-dimensional activity landscape representations for different compound data sets

inferredcites →https://doi.org/10.1093/bioinformatics/18.1.130openalex-snapshot

The Binding Database: data management and interface design

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/10.1111/j.1747-0285.2006.00397.xopenalex-snapshot

Hierarchical Strategy for Identifying Active Chemotype Classes in Compound Databases

inferredcites →https://doi.org/10.1155/2010/215158openalex-snapshot

The Role of Cyclooxygenase-2 in Cell Proliferation and Cell Death in Human Malignancies

inferredcites →https://doi.org/10.2174/0929867003375317openalex-snapshot

Molecular Modeling and Computer Aided Drug Design. Examples of their Applications in Medicinal Chemistry

inferredcites →https://doi.org/10.22201/fq.18708404e.2006.4.66027openalex-snapshot

Diseño de fármacos asistido por computadora

inferredcites →https://doi.org/10.4236/cmb.2011.11002openalex-snapshot

Chemoinformatic Approaches for Inhibitors of DNA Methyltransferases: Comprehensive Characterization of Screening Libraries

What points at this work

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

inferred← citeshttps://doi.org/10.1002/ddr.21209openalex-snapshot

Progress in the Analysis of Multiple Activity Profile of Screening Data Using Computational Approaches

inferred← citeshttps://doi.org/10.1002/minf.201200127openalex-snapshot

Cyclic Systems Distribution Along Similarity Measures: Insights for an Application to Activity Landscape Modeling

inferred← citeshttps://doi.org/10.1007/978-3-319-56850-8_8openalex-snapshot

Quantitative Structure-Epigenetic Activity Relationships

inferred← citeshttps://doi.org/10.1007/s11030-015-9609-zopenalex-snapshot

Activity cliffs and activity cliff generators based on chemotype-related activity landscapes

inferred← citeshttps://doi.org/10.1021/ci300362xopenalex-snapshot

Scanning Structure–Activity Relationships with Structure–Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches

inferred← citeshttps://doi.org/10.1021/ci400192yopenalex-snapshot

Rapid Scanning Structure–Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches

inferred← citeshttps://doi.org/10.1021/ci500721xopenalex-snapshot

Analyzing Multitarget Activity Landscapes Using Protein–Ligand Interaction Fingerprints: Interaction Cliffs

inferred← citeshttps://doi.org/10.1039/c5ra19611fopenalex-snapshot

Epigenetic relevant chemical space: a chemoinformatic characterization of inhibitors of DNA methyltransferases

inferred← citeshttps://doi.org/10.1039/c6ra07224kopenalex-snapshot

A chemical space odyssey of inhibitors of histone deacetylases and bromodomains

inferred← citeshttps://doi.org/10.3390/molecules22111864openalex-snapshot

Synthesis and Biological Evaluation of 2H-Indazole Derivatives: Towards Antimicrobial and Anti-Inflammatory Dual Agents

inferred← citeshttps://doi.org/10.4155/fmc.13.173openalex-snapshot

Chemoinformatic Characterization of Activity and Selectivity Switches of Antiprotozoal Compounds

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