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

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What this work says

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

inferredcites →https://doi.org/10.1002/3527603743openalex-snapshot
Chemoinformatics in Drug Discovery
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Towards a systematic characterization of the antiprotozoal activity landscape of benzimidazole derivatives
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.bmc.2012.04.062openalex-snapshot
Early phase drug discovery: Cheminformatics and computational techniques in identifying lead series
inferredcites →https://doi.org/10.1016/j.drudis.2012.04.001openalex-snapshot
Expanding the medicinally relevant chemical space with compound libraries
inferredcites →https://doi.org/10.1016/j.drudis.2013.01.008openalex-snapshot
Shifting from the single to the multitarget paradigm in drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2013.03.003openalex-snapshot
Matched Molecular Pair Analysis in drug discovery
inferredcites →https://doi.org/10.1016/s1471-4906(02)02316-5openalex-snapshot
Formyl-peptide receptors revisited
inferredcites →https://doi.org/10.1021/cc7001205openalex-snapshot
Strategies for the Use of Mixture-Based Synthetic Combinatorial Libraries: Scaffold Ranking, Direct Testing In Vivo, and Enhanced Deconvolution by Computational Methods
inferredcites →https://doi.org/10.1021/ci100050topenalex-snapshot
Extended-Connectivity Fingerprints
inferredcites →https://doi.org/10.1021/ci100062nopenalex-snapshot
Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments
inferredcites →https://doi.org/10.1021/ci200054uopenalex-snapshot
Single R-Group Polymorphisms (SRPs) and R-Cliffs: An Intuitive Framework for Analyzing and Visualizing Activity Cliffs in a Single Analog Series
inferredcites →https://doi.org/10.1021/ci200081kopenalex-snapshot
Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations
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/ci3001138openalex-snapshot
MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs
inferredcites →https://doi.org/10.1021/ci300206eopenalex-snapshot
SAR Matrices: Automated Extraction of Information-Rich SAR Tables from Large Compound Data Sets
inferredcites →https://doi.org/10.1021/ci300362xopenalex-snapshot
Scanning Structure–Activity Relationships with Structure–Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches
inferredcites →https://doi.org/10.1021/ci800379qopenalex-snapshot
Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs
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/10.1021/ci900264nopenalex-snapshot
Enhanced SAR Maps: Expanding the Data Rendering Capabilities of a Popular Medicinal Chemistry Tool
inferredcites →https://doi.org/10.1021/jm201706bopenalex-snapshot
Exploring Activity Cliffs in Medicinal Chemistry
inferredcites →https://doi.org/10.1021/jm990174vopenalex-snapshot
Mixture-Based Synthetic Combinatorial Libraries
inferredcites →https://doi.org/10.1038/nm0103-118openalex-snapshot
Advances in the use of synthetic combinatorial chemistry: Mixture-based libraries
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/10.1093/jnci/dji142openalex-snapshot
Formylpeptide Receptor FPR and the Rapid Growth of Malignant Human Gliomas
inferredcites →https://doi.org/10.1111/cbdd.12019openalex-snapshot
CASE Plots for the Chemotype‐Based Activity and Selectivity Analysis: A CASE Study of Cyclooxygenase Inhibitors
inferredcites →https://doi.org/10.1111/cbdd.12115openalex-snapshot
Activity Cliffs: Facts or Artifacts?
inferredcites →https://doi.org/10.1124/mol.113.086595openalex-snapshot
Selective Agonists and Antagonists of Formylpeptide Receptors: Duplex Flow Cytometry and Mixture-Based Positional Scanning Libraries
inferredcites →https://doi.org/10.1517/17460441.2010.517832openalex-snapshot
How similar are those molecules after all? Use two descriptors and you will have three different answers
inferredcites →https://doi.org/10.1517/17460441.2012.679616openalex-snapshot
Modeling of activity landscapes for drug discovery
inferredcites →https://doi.org/10.4049/jimmunol.166.3.1448openalex-snapshot
Cutting Edge: The Neurotoxic Prion Peptide Fragment PrP106–126 Is a Chemotactic Agonist for the G Protein-Coupled Receptor Formyl Peptide Receptor-Like 1

What points at this work

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

inferred← citeshttps://doi.org/10.1002/chem.202203476openalex-snapshot
RGD Peptidomimetic MMAE‐Conjugate Addressing Integrin αVβ3‐Expressing Cells with High Targeting Index**
inferred← citeshttps://doi.org/10.1007/978-3-319-56850-8_8openalex-snapshot
Quantitative Structure-Epigenetic Activity Relationships
inferred← citeshttps://doi.org/10.1016/b978-0-12-802808-7.00012-5openalex-snapshot
Drug Repurposing for Epigenetic Targets Guided by Computational Methods
inferred← citeshttps://doi.org/10.1016/j.drudis.2014.02.003openalex-snapshot
Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
inferred← citeshttps://doi.org/10.1016/j.ejmech.2017.05.058openalex-snapshot
Synthesis, antiprotozoal activity, and chemoinformatic analysis of 2-(methylthio)-1H-benzimidazole-5-carboxamide derivatives: Identification of new selective giardicidal and trichomonicidal compounds
inferred← citeshttps://doi.org/10.1016/j.eq.2016.06.002openalex-snapshot
Descubrimiento y desarrollo de fármacos: un enfoque computacional
inferred← citeshttps://doi.org/10.1021/acsomega.3c07920openalex-snapshot
Cheminformatics Analysis of the Multitarget Structure–Activity Landscape of Environmental Chemicals Binding to Human Endocrine Receptors
inferred← citeshttps://doi.org/10.1021/jm401120gopenalex-snapshot
Recent Progress in Understanding Activity Cliffs and Their Utility in Medicinal Chemistry
inferred← citeshttps://doi.org/10.1124/mol.113.086595openalex-snapshot
Selective Agonists and Antagonists of Formylpeptide Receptors: Duplex Flow Cytometry and Mixture-Based Positional Scanning Libraries
inferred← citeshttps://doi.org/10.1517/17460441.2014.872624openalex-snapshot
Balancing novelty with confined chemical space in modern drug discovery
inferred← citeshttps://doi.org/10.2174/0929867321666131218095521openalex-snapshot
Development of Small Molecule Non-peptide Formyl Peptide Receptor (FPR) Ligands and Molecular Modeling of Their Recognition
inferred← citeshttps://doi.org/10.3389/fchem.2022.869639openalex-snapshot
Synthesis and Evaluation of a Non-Peptide Small-Molecule Drug Conjugate Targeting Integrin αVβ3
inferred← citeshttps://doi.org/10.3389/fnmol.2014.00052openalex-snapshot
Targeting GTPases in Parkinson’s disease: comparison to the historic path of kinase drug discovery and perspectives
inferred← citeshttps://doi.org/10.3390/ijms17060827openalex-snapshot
Fast Modeling of Binding Affinities by Means of Superposing Significant Interaction Rules (SSIR) Method
inferred← citeshttps://doi.org/10.3390/ijms27041972openalex-snapshot
Improving the SSIR Method: Implementation of an Exhaustive Multilevel Scan for Categorical Variables
inferred← citeshttps://doi.org/10.3390/molecules18066408openalex-snapshot
The Mathematics of a Successful Deconvolution: A Quantitative Assessment of Mixture-Based Combinatorial Libraries Screened Against Two Formylpeptide Receptors
inferred← citeshttps://doi.org/10.4155/fmc.13.173openalex-snapshot
Chemoinformatic Characterization of Activity and Selectivity Switches of Antiprotozoal Compounds
inferred← citeshttps://doi.org/10.4155/fmc.15.51openalex-snapshot
Activity and Property Landscape Modeling is at the Interface of Chemoinformatics and Medicinal Chemistry
inferred← citeshttps://doi.org/10.5562/cca3027openalex-snapshot
Superposing Significant Interaction Rules (SSIR) Method: A simple Procedure for Rapid Ranking of Congeneric Compounds
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