On the public citation graph

Intuitive Ordering of Scaffolds and Scaffold Similarity Searching Using Scaffold Keys

0 signed · 80 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

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

inferredcites →https://doi.org/10.1002/cmdc.200900317openalex-snapshot
Classification of Organic Molecules by Molecular Quantum Numbers
inferredcites →https://doi.org/10.1016/j.bmc.2012.02.058openalex-snapshot
Database of bioactive ring systems with calculated properties and its use in bioisosteric design and scaffold hopping
inferredcites →https://doi.org/10.1021/cc990047kopenalex-snapshot
Definition of Templates within Combinatorial Libraries
inferredcites →https://doi.org/10.1021/ci00065a015openalex-snapshot
A ring-based chemical structural query system: use of a novel ring-complexity heuristic
inferredcites →https://doi.org/10.1021/ci2000924openalex-snapshot
Mining for Bioactive Scaffolds with Scaffold Networks: Improved Compound Set Enrichment from Primary Screening Data
inferredcites →https://doi.org/10.1021/ci2003945openalex-snapshot
Development of a Method To Consistently Quantify the Structural Distance between Scaffolds and To Assess Scaffold Hopping Potential
inferredcites →https://doi.org/10.1021/ci3001277openalex-snapshot
ZINC: A Free Tool to Discover Chemistry for Biology
inferredcites →https://doi.org/10.1021/ci300415dopenalex-snapshot
Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17
inferredcites →https://doi.org/10.1021/ci300535xopenalex-snapshot
Visualization and Virtual Screening of the Chemical Universe Database GDB-17
inferredcites →https://doi.org/10.1021/ci400209nopenalex-snapshot
Beyond Terrestrial Biology: Charting the Chemical Universe of α-Amino Acid Structures
inferredcites →https://doi.org/10.1021/ci600338xopenalex-snapshot
The Scaffold Tree − Visualization of the Scaffold Universe by Hierarchical Scaffold Classification
inferredcites →https://doi.org/10.1021/ci9800211openalex-snapshot
Chemical Similarity Searching
inferredcites →https://doi.org/10.1021/jm060217popenalex-snapshot
Quest for the Rings. In Silico Exploration of Ring Universe To Identify Novel Bioactive Heteroaromatic Scaffolds
inferredcites →https://doi.org/10.1021/jm9602928openalex-snapshot
The Properties of Known Drugs. 1. Molecular Frameworks
inferredcites →https://doi.org/10.1021/jo8001276openalex-snapshot
Structural Diversity of Organic Chemistry. A Scaffold Analysis of the CAS Registry
inferredcites →https://doi.org/10.1038/nchembio0809-536openalex-snapshot
Staring off into chemical space
inferredcites →https://doi.org/10.1093/nar/gkp965openalex-snapshot
An overview of the PubChem BioAssay resource
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1186/1758-2946-4-12openalex-snapshot
The Molecule Cloud - compact visualization of large collections of molecules
inferredcites →https://doi.org/10.2174/157340908786786010openalex-snapshot
Visualization of the Chemical Space in Drug Discovery

What points at this work

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

inferred← citeshttps://doi.org/10.1002/ange.201508818openalex-snapshot
Gerüstdiversitätsbasierte Synthese und ihre Anwendung bei der Sonden‐ und Wirkstoffsuche
inferred← citeshttps://doi.org/10.1002/anie.201508818openalex-snapshot
Scaffold Diversity Synthesis and Its Application in Probe and Drug Discovery
inferred← citeshttps://doi.org/10.1002/ceur.70283openalex-snapshot
Contemporary Applications of Chemical Libraries for Drug Discovery and Methods for Their Synthesis
inferred← citeshttps://doi.org/10.1002/cmdc.202100149openalex-snapshot
Cyclic Dipeptide: A Privileged Molecular Scaffold to Derive Structural Diversity and Functional Utility
inferred← citeshttps://doi.org/10.1002/minf.201500034openalex-snapshot
Method for Systematic Assessment of Chemical Changes in Molecular Scaffolds with Conserved Topology and Application to the Analysis of Scaffold‐Activity Relationships
inferred← citeshttps://doi.org/10.1002/minf.201700047openalex-snapshot
Neighboring Structure Visualization on a Grid‐based Layout
inferred← citeshttps://doi.org/10.1002/minf.201700103openalex-snapshot
Identification of Bioactive Scaffolds Based on QSAR Models
inferred← citeshttps://doi.org/10.1002/minf.202000017openalex-snapshot
Cheminformatics Analysis of Natural Product Scaffolds: Comparison of Scaffolds Produced by Animals, Plants, Fungi and Bacteria
inferred← citeshttps://doi.org/10.1007/s00894-019-3950-6openalex-snapshot
Knowledge discovery through chemical space networks: the case of organic electronics
inferred← citeshttps://doi.org/10.1007/s10822-021-00379-5openalex-snapshot
Adapting the DeepSARM approach for dual-target ligand design
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12345-5openalex-snapshot
Chemical Data Formats, Fingerprints, and Other Molecular Descriptions for Database Analysis and Searching
inferred← citeshttps://doi.org/10.1016/c2014-1-02188-6openalex-snapshot
Comprehensive Medicinal Chemistry III
inferred← citeshttps://doi.org/10.1016/j.bmc.2014.12.021openalex-snapshot
MCR synthesis of a tetracyclic tetrazole scaffold
inferred← citeshttps://doi.org/10.1016/j.bmc.2024.118012openalex-snapshot
Synthesis and biological evaluation of lappaconitine analogues as potential anti-neuroinflammatory agents by side chain modification and scaffold hopping strategy
inferred← citeshttps://doi.org/10.1016/j.drudis.2025.104392openalex-snapshot
Chemical space visual navigation in the era of deep learning and Big Data
inferred← citeshttps://doi.org/10.1016/j.ejmech.2025.118178openalex-snapshot
Ring systems in medicinal chemistry: A cheminformatics analysis of ring popularity in drug discovery over time
inferred← citeshttps://doi.org/10.1016/j.taap.2023.116407openalex-snapshot
Linking chemicals, genes and morphological perturbations to diseases
inferred← citeshttps://doi.org/10.1016/j.ymeth.2014.10.013openalex-snapshot
Methods for generating and applying pharmacophore models as virtual screening filters and for bioactivity profiling
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00290openalex-snapshot
Identification of Bioisosteric Substituents by a Deep Neural Network
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00761openalex-snapshot
Magic Rings: Navigation in the Ring Chemical Space Guided by the Bioactive Rings
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c00224openalex-snapshot
Exploration of Ultralarge Compound Collections for Drug Discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01812openalex-snapshot
Database of 4 Million Medicinal Chemistry-Relevant Ring Systems
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c00154openalex-snapshot
FragGrow: A Web Server for Structure-Based Drug Design by Fragment Growing within Constraints
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c01314openalex-snapshot
An Open-Source Implementation of the Scaffold Identification and Naming System (SCINS) and Example Applications
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00475openalex-snapshot
pROC-Chemotype Plots Enhance the Interpretability of Benchmarking Results in Structure-Based Virtual Screening
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.jcim.7b00006openalex-snapshot
Mapping of Drug-like Chemical Universe with Reduced Complexity Molecular Frameworks
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00532openalex-snapshot
ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00557openalex-snapshot
Method for Systematic Analogue Search Using the Mega SAR Matrix Database
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c00473openalex-snapshot
Rings in Clinical Trials and Drugs: Present and Future
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b01746openalex-snapshot
Computational Exploration of Molecular Scaffolds in Medicinal Chemistry
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5c03118openalex-snapshot
The Heterocycle Isostere Explorer: A Computational Tool for the Discovery of Novel Aromatic Heterocyclic Isosteres
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b01437openalex-snapshot
Recent Advances in Scaffold Hopping
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.7b00809openalex-snapshot
The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b01931openalex-snapshot
Computational Method for Structure-Based Analysis of SAR Transfer
inferred← citeshttps://doi.org/10.1021/acscombsci.9b00057openalex-snapshot
5,5- and 5,6-Membered Spirocyclic Indolinone Hit-Finding Libraries
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.6c00261openalex-snapshot
Structural Preferences and ADMET Regulation of Fluorinated Small-Molecule Drugs
inferred← citeshttps://doi.org/10.1021/acsomega.9b00595openalex-snapshot
Integrating the Structure–Activity Relationship Matrix Method with Molecular Grid Maps and Activity Landscape Models for Medicinal Chemistry Applications
inferred← citeshttps://doi.org/10.1021/ci500542eopenalex-snapshot
Novel Scaffold Fingerprint (SFP): Applications in Scaffold Hopping and Scaffold-Based Selection of Diverse Compounds
inferred← citeshttps://doi.org/10.1021/ci5006355openalex-snapshot
Evaluation of a Semi-Automated Workflow for Fragment Growing
inferred← citeshttps://doi.org/10.1039/c7ob02230aopenalex-snapshot
A diversity oriented synthesis of natural product inspired molecular libraries
inferred← citeshttps://doi.org/10.1039/d5md00686dopenalex-snapshot
Data-driven assessment of bioisosteric replacements and their influence on off-target activity profiles
inferred← citeshttps://doi.org/10.1055/s-0035-1545881openalex-snapshot
Unique Macrocycles in the Taiwan Traditional Chinese Medicine Database
inferred← citeshttps://doi.org/10.1093/bioinformatics/btw055openalex-snapshot
ASDB: a resource for probing protein functions with small molecules
inferred← citeshttps://doi.org/10.1111/cbdd.12763openalex-snapshot
Boosting Pose Ranking Performance via Rescoring with MM ‐ GBSA
inferred← citeshttps://doi.org/10.1186/s13321-024-00850-zopenalex-snapshot
Hilbert-curve assisted structure embedding method
inferred← citeshttps://doi.org/10.1208/s12248-015-9737-5openalex-snapshot
Structural and Activity Profile Relationships Between Drug Scaffolds
inferred← citeshttps://doi.org/10.2533/chimia.2021.620openalex-snapshot
Deliberations on Natural Products and Future Directions in the Pharmaceutical Industry
inferred← citeshttps://doi.org/10.26434/chemrxiv.11911296openalex-snapshot
Hilbert-Curve Assisted Structure Embedding Method
inferred← citeshttps://doi.org/10.26434/chemrxiv.11911296.v1openalex-snapshot
Hilbert-Curve Assisted Structure Embedding Method
inferred← citeshttps://doi.org/10.26434/chemrxiv.13525457openalex-snapshot
Identification of Bioisosteric Scaffolds using Scaffold Keys
inferred← citeshttps://doi.org/10.26434/chemrxiv.13525457.v1openalex-snapshot
Identification of Bioisosteric Scaffolds using Scaffold Keys
inferred← citeshttps://doi.org/10.26434/chemrxiv.14554803openalex-snapshot
Report on an NIH Workshop on Ultralarge Chemistry Databases
inferred← citeshttps://doi.org/10.26434/chemrxiv.14554803.v1openalex-snapshot
Report on an NIH Workshop on Ultralarge Chemistry Databases
inferred← citeshttps://doi.org/10.3390/biom11101515openalex-snapshot
Cyclic Dipeptides: The Biological and Structural Landscape with Special Focus on the Anti-Cancer Proline-Based Scaffold
inferred← citeshttps://doi.org/10.3390/ph19081209openalex-snapshot
Multiclass Machine Learning-Based Discovery of Novel Scaffold Inhibitors Targeting ALK
inferred← citeshttps://doi.org/10.4155/fdd-2020-0005openalex-snapshot
Deep SAR matrix: SAR matrix expansion for advanced analog design using deep learning architectures
inferred← citeshttps://doi.org/10.4155/fmc-2017-0043openalex-snapshot
Computational Scaffold Hopping: Cornerstone for the Future of Drug Design?
inferred← citeshttps://doi.org/10.6084/m9.figshare.26755126openalex-snapshot
Additional file 1 of Hilbert-curve assisted structure embedding method
inferred← citeshttps://doi.org/10.70675/e25465cez1f3cz49a3za6e2zbf71deeda99dopenalex-snapshot
Modifications chimiques d’extraits naturels de plantes alpines : approche orientée vers la diversité
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.