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Exploring Chemical Rings in a Simple Topological-Descriptor Space
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Topological characterization of cyclic structures
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Algebraic characterization of bridged polycyclic compounds
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Molecular cyclicity and centricity of polycyclic graphs. I. Cyclicity based on resistance distances or reciprocal distances
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Enhancing the diversity of a corporate database using chemical database clustering and analysis
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Encyclopedia of Computational Chemistry
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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Chemical Abstracts Service Chemical Registry System. 11. Substance-related statistics: update and additions
inferredcites →https://doi.org/10.1021/ci00063a008openalex-snapshot
Theoretical aspects of ring perception and development of the extended set of smallest rings concept
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A ring-based chemical structural query system: use of a novel ring-complexity heuristic
inferredcites →https://doi.org/10.1021/ci00066a002openalex-snapshot
Enhanced algorithm for finding the smallest set of smallest rings
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Topological structural information in the CAS file: statistical occurrences of DARC concentric fragments. 1. Basic carbon substructures
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Principle for Exhaustive Enumeration of Unique Structures Consistent with Structural Information
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The Chemical Abstracts Service Chemical Registry System. I. General Design
inferredcites →https://doi.org/10.1021/ci60017a011openalex-snapshot
An Algorithm for the Perception of Synthetically Important Rings
inferredcites →https://doi.org/10.1021/ci960093xopenalex-snapshot
A Ring-Imbedding Index and Its Use in Substructure Searching
inferredcites →https://doi.org/10.1021/ci980151+openalex-snapshot
Mining a Large Database for Peptidomimetic Ring Structures Using a Topological Index
inferredcites →https://doi.org/10.1021/jm9602928openalex-snapshot
The Properties of Known Drugs. 1. Molecular Frameworks
inferredcites →https://doi.org/10.1023/a:1007937308615openalex-snapshot
Database diversity assessment: New ideas, concepts, and tools
inferredcites →https://doi.org/10.1111/j.1365-2125.2004.02080.xopenalex-snapshot
The Practice of Medicinal Chemistry
inferredcites →https://doi.org/10.1358/dof.1998.023.08.858430openalex-snapshot
Software for chemical diversity in the context of accelerated drug discovery
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Virtual Screening of Chemical Space: From Generic Compound Collections to Tailored Screening Libraries
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Scaffold Diversity in Medicinal Chemistry Space
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Synthesis of Natural‐Product‐Like Molecules with Over Eighty Distinct Scaffolds
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Synthesis of Natural‐Product‐Like Molecules with Over Eighty Distinct Scaffolds
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Scaffold Searching: Automated Identification of Similar Ring Systems for the Design of Combinatorial Libraries
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The Scaffold Tree: An Efficient Navigation in the Scaffold Universe
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Introducing a pyrazolopyrimidine as a multi-tyrosine kinase inhibitor, using multi-QSAR and docking methods
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Selection of heterocycles for drug design
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A knowledge-based expert rule system for predicting mutagenicity (Ames test) of aromatic amines and azo compounds
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Parallel Algorithms for Graph Cycle Extraction Using the Cyclical Conjunction Operator
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Cyclical Conjunction: An Efficient Operator for the Extraction of Cycles from a Graph
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Representation of the Molecular Topology of Cyclical Structures by Means of Cycle Graphs. 1. Extraction of Topological Properties
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Representation of the Molecular Topology of Cyclical Structures by Means of Cycle Graphs. 2. Application to Clustering of Chemical Databases
inferred← citeshttps://doi.org/10.1021/ci2001428openalex-snapshot
Scaffold Diversity of Exemplified Medicinal Chemistry Space
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Validating and Understanding Ring Conformations Using Small Molecule Crystallographic Data
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Novel Scaffold Fingerprint (SFP): Applications in Scaffold Hopping and Scaffold-Based Selection of Diverse Compounds
inferred← citeshttps://doi.org/10.1021/ci7003412openalex-snapshot
Scaffold Topologies. 1. Exhaustive Enumeration up to Eight Rings
inferred← citeshttps://doi.org/10.1021/ci700342hopenalex-snapshot
Scaffold Topologies. 2. Analysis of Chemical Databases
inferred← citeshttps://doi.org/10.1021/jm0300429openalex-snapshot
Drug Rings Database with Web Interface. A Tool for Identifying Alternative Chemical Rings in Lead Discovery Programs
inferred← citeshttps://doi.org/10.1021/jm040762vopenalex-snapshot
A Virtual Screening Approach to Finding Novel and Potent Antagonists at the Melanin-Concentrating Hormone 1 Receptor
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A 3D Similarity Method for Scaffold Hopping from Known Drugs or Natural Ligands to New Chemotypes
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Design of Small-Sized Libraries by Combinatorial Assembly of Linkers and Functional Groups to a Given Scaffold: Application to the Structure-Based Optimization of a Phosphodiesterase 4 Inhibitor
inferred← citeshttps://doi.org/10.1021/jm060217popenalex-snapshot
Quest for the Rings. In Silico Exploration of Ring Universe To Identify Novel Bioactive Heteroaromatic Scaffolds
inferred← citeshttps://doi.org/10.1021/jo8001276openalex-snapshot
Structural Diversity of Organic Chemistry. A Scaffold Analysis of the CAS Registry
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Use of alignment-free molecular descriptors in diversity analysis and optimal sampling of molecular libraries
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A quantitative study of cytotoxic compounds using graph based descriptors and machine learning
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Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines
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