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Systematic Enumeration of Heteroaromatic Ring Systems as Reagents for Use in Medicinal Chemistry

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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/anie.201002238openalex-snapshot
Factors Determining the Selection of Organic Reactions by Medicinal Chemists and the Use of These Reactions in Arrays (Small Focused Libraries)
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ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI)
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Design of compound libraries for fragment screening
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BOOMSLANG: A program for combinatorial structure generation
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Privileged scaffolds for library design and drug discovery
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Enhancements of screening collections to address areas of unmet medical need: an industry perspective
inferredcites →https://doi.org/10.1021/ci00062a008openalex-snapshot
SMILES. 2. Algorithm for generation of unique SMILES notation
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Drug and Drug Candidate Building Block Analysis
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Toward the Comprehensive Systematic Enumeration and Synthesis of Novel Kinase Inhibitors Based on a 4-Anilinoquinazoline Binding Mode
inferredcites →https://doi.org/10.1021/ci970429iopenalex-snapshot
RECAPRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/jm0605233openalex-snapshot
Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure
inferredcites →https://doi.org/10.1021/jm801513zopenalex-snapshot
Heteroaromatic Rings of the Future
inferredcites →https://doi.org/10.1039/b602413kopenalex-snapshot
Analysis of the reactions used for the preparation of drug candidate molecules
inferredcites →https://doi.org/10.1039/c0md00148aopenalex-snapshot
Data-mining patent literature for novel chemical reagents for use in medicinal chemistry design
inferredcites →https://doi.org/10.1093/nar/gkm958openalex-snapshot
DrugBank: a knowledgebase for drugs, drug actions and drug targets
inferredcites →https://doi.org/10.2174/1386207043328238openalex-snapshot
Molecular Diversity Management Strategies for Building and Enhancement of Diverse and Focused Lead Discovery Compound Screening Collections
inferredcites →https://doi.org/10.2174/1568026053828376openalex-snapshot
Key Aspects of the Novartis Compound Collection Enhancement Project for the Compilation of a Comprehensive Chemogenomics Drug Discovery Screening Collection

What points at this work

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

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Recent Advances in Chemistry Technologies and Applications to Medicinal Chemistry
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Exploring Virtual Scaffold Spaces
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Lead Generation Based on Compound Collection Screening
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Design, Synthesis, and Application of a Trifluoromethylated Phenylalanine Analogue as a Label to Study Peptides by Solid‐State 19F NMR Spectroscopy
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Iridium‐katalysierte C‐H‐Borylierung von Heteroarenen: Eine Balance zwischen sterischer and elektronischer Regiokontrolle
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Design, Synthesis, and Application of a Trifluoromethylated Phenylalanine Analogue as a Label to Study Peptides by Solid‐State 19F NMR Spectroscopy
inferred← citeshttps://doi.org/10.1002/anie.202001520openalex-snapshot
Iridium‐Catalysed C−H Borylation of Heteroarenes: Balancing Steric and Electronic Regiocontrol
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Synthesis and Characterization of β‐Trifluoromethyl‐Substituted Pyrrolidines
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Synthesis of 6‐Azaspiro[4.3]alkanes: Innovative Scaffolds for Drug Discovery
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Synthesis of 2,2‐Disubstituted Spirocyclic Pyrrolidines by Intramolecular Dieckmann Condensation
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Pd(0)-Catalyzed Cu(I)-Thiophene-2-carboxylate-mediated Cross-Coupling of Heteroaromatic Thioethers and Boronic Acids-First Liebeskind-Srogl Reaction in Water
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Ir-Catalyzed Borylation of Heterocycles Through C−H Activation
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Generative AI in Drug Designing: Current State-of-the-Art and Perspectives
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Designing novel building blocks is an overlooked strategy to improve compound quality
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Iodobenzene-catalyzed photochemical heteroarylation of alcohols by rupture of inert C–H and C–C bonds
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Synthesis of 2- and 3-trifluoromethylmorpholines: useful building blocks for drug discovery
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1-Amino-4,4-difluorocyclohexanecarboxylic acid as a promising building block for drug discovery: design, synthesis and characterization
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A convergent route to substituted azetidines and to Boc-protected 4-aminomethylpyrroles
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.5b00250openalex-snapshot
Postmodification of the Electronic Properties by Addition of π-Stacking Additives in N-Heterocyclic Carbene Complexes with Extended Polyaromatic Systems
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00811openalex-snapshot
A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00162openalex-snapshot
Heterocyclic Regioisomer Enumeration (HREMS): A Cheminformatics Design Tool
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00386openalex-snapshot
Applications of Systematic Molecular Scaffold Enumeration to Enrich Structure–Activity Relationship Information
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b01919openalex-snapshot
“Ring Breaker”: Neural Network Driven Synthesis Prediction of the Ring System Chemical Space
inferred← citeshttps://doi.org/10.1021/acs.orglett.0c02475openalex-snapshot
Metal-Free Radical-Mediated C(sp3)–H Heteroarylation of Alkanes
inferred← citeshttps://doi.org/10.1021/acs.orglett.7b01772openalex-snapshot
Modular Route to Azaindanes
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Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template
inferred← citeshttps://doi.org/10.1021/ci3004539openalex-snapshot
Biologically Relevant Chemical Space Navigator: From Patent and Structure–Activity Relationship Analysis to Library Acquisition and Design
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Desulfonylative Radical Ring Closure onto Aromatics. A Modular Route to Benzazepin-2-ones and 5-Arylpiperidin-2-ones
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Expedient Approach to Novel N-Unprotected Bicyclic Azapyrimidine and Pyridine Structures
inferred← citeshttps://doi.org/10.1021/ol402973qopenalex-snapshot
An Expedient Route to Dihydrothiazines, a Virtually Unknown Class of Heterocycles
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A unified access to diverse heteroaromatic scaffolds using the radical chemistry of xanthates
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Selective oxymetalation of terminal alkynes via 6- endo cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins
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Horner–Wadsworth–Emmons reaction as an excellent tool in the synthesis of fluoro-containing biologically important compounds
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Nickel-catalysed sequential hydrodefluorination of pyridines: mechanistic insights led to the discovery of bench-stable precatalysts
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Bis(cyclooctadiene)nickel(0)-catalyzed exhaustive C(sp 2 )–X and C(sp 3 )–F hydrodehalogenation and deuterodefluorination of pyridines and arenes with a broad substrate scope
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Some aspects of radical cascade and relay reactions
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Enumeration method for tree-like chemical compounds with benzene rings and naphthalene rings by breadth-first search order
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Cycloadditions in heterocycle and alkaloid synthesis
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From C-F Activation to Catalytic Regioselective Double Hydrodefluorination of Pyridines with a Nickel Complex
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‘Ring Breaker’: Assessing Synthetic Accessibility of the Ring System Chemical Space
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‘Ring Breaker’: Assessing Synthetic Accessibility of the Ring System Chemical Space
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A close-up look at the chemical space of commercially available building blocks for medicinal chemistry
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