On the public citation graph
From Structure Diagrams to Visual Chemical Patterns
0 signed · 97 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.
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known work and none has been retracted — and get a dated CiteStamped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.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9780470125908.ch6openalex-snapshot
Structure Diagram Generation
inferredcites →https://doi.org/10.1002/ange.200907040openalex-snapshot
The Nickel/Copper‐Catalyzed Direct Alkylation of Heterocyclic CH Bonds
inferredcites →https://doi.org/10.1002/ange.201000291openalex-snapshot
DNA‐Templated Synthesis of Trimethine Cyanine Dyes: A Versatile Fluorogenic Reaction for Sensing G‐Quadruplex Formation
inferredcites →https://doi.org/10.1002/anie.200907040openalex-snapshot
The Nickel/Copper‐Catalyzed Direct Alkylation of Heterocyclic CH Bonds
inferredcites →https://doi.org/10.1002/anie.201000291openalex-snapshot
DNA‐Templated Synthesis of Trimethine Cyanine Dyes: A Versatile Fluorogenic Reaction for Sensing G‐Quadruplex Formation
inferredcites →https://doi.org/10.1007/bf01533070openalex-snapshot
ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures
inferredcites →https://doi.org/10.1007/s00894-003-0126-0openalex-snapshot
The compressed feature matrix?a fast method for feature based substructure search
inferredcites →https://doi.org/10.1007/s10822-004-4060-8openalex-snapshot
An automated PLS search for biologically relevant QSAR descriptors
inferredcites →https://doi.org/10.1016/s0169-409x(02)00003-0openalex-snapshot
Prediction of ‘drug-likeness’
inferredcites →https://doi.org/10.1021/ci00031a009openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 1. Introduction and general strategy
inferredcites →https://doi.org/10.1021/ci00057a005openalex-snapshot
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
inferredcites →https://doi.org/10.1021/ci030405dopenalex-snapshot
Counterexamples in Chemical Ring Perception
inferredcites →https://doi.org/10.1021/ci034018fopenalex-snapshot
Microbial Pathway Prediction: A Functional Group Approach
inferredcites →https://doi.org/10.1021/ci034260mopenalex-snapshot
Drug-like Annotation and Duplicate Analysis of a 23-Supplier Chemical Database Totalling 2.7 Million Compounds
inferredcites →https://doi.org/10.1021/ci049958uopenalex-snapshot
Automated Drawing of Structural Molecular Formulas under Constraints
inferredcites →https://doi.org/10.1021/ci060094hopenalex-snapshot
Recore: A Fast and Versatile Method for Scaffold Hopping Based on Small Molecule Crystal Structure Conformations
inferredcites →https://doi.org/10.1021/ci600305hopenalex-snapshot
Molecular Query Language (MQL)A Context-Free Grammar for Substructure Matching
inferredcites →https://doi.org/10.1021/ci6005454openalex-snapshot
Conformational Sampling of Bioactive Molecules: A Comparative Study
inferredcites →https://doi.org/10.1021/ci7004687openalex-snapshot
SYBYL Line Notation (SLN): A Single Notation To Represent Chemical Structures, Queries, Reactions, and Virtual Libraries
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/ci990423oopenalex-snapshot
Strategic Pooling of Compounds for High-Throughput Screening
inferredcites →https://doi.org/10.1021/jm030267jopenalex-snapshot
Characteristic Physical Properties and Structural Fragments of Marketed Oral Drugs
inferredcites →https://doi.org/10.1021/jm9016366openalex-snapshot
Creating an Antibacterial with in Vivo Efficacy: Synthesis and Characterization of Potent Inhibitors of the Bacterial Cell Division Protein FtsZ with Improved Pharmaceutical Properties
inferredcites →https://doi.org/10.1038/nrd1799openalex-snapshot
Computer-based de novo design of drug-like molecules
inferredcites →https://doi.org/10.1080/10629360802348985openalex-snapshot
Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach
inferredcites →https://doi.org/10.1107/s0108768102003324openalex-snapshot
New software for searching the Cambridge Structural Database and visualizing crystal structures
inferredcites →https://doi.org/10.1186/1758-2946-1-20openalex-snapshot
The PubChem chemical structure sketcher
inferredcites →https://doi.org/10.1351/pac200880020277openalex-snapshot
Graphical representation standards for chemical structure diagrams (IUPAC Recommendations 2008)
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527677016.ch14openalex-snapshot
Coping with Combinatorial Space in Molecular Design
inferred← citeshttps://doi.org/10.1002/9783527816880.ch3openalex-snapshot
Computer Processing of Chemical Structure Information
inferred← citeshttps://doi.org/10.1002/cmdc.202100387openalex-snapshot
Augmenting Structure‐Based Design with Experimental Protein‐Ligand Interaction Data: Molecular Recognition, Interactive Visualization, and Rescoring
inferred← citeshttps://doi.org/10.1002/minf.202000216openalex-snapshot
SMARTS.plus – A Toolbox for Chemical Pattern Design
inferred← citeshttps://doi.org/10.1007/s12268-013-0285-1openalex-snapshot
Visualisierung komplexer, molekularer Zusammenhänge
inferred← citeshttps://doi.org/10.1016/j.comtox.2022.100246openalex-snapshot
Evaluating the utility of the Threshold of Toxicological Concern (TTC) and its exclusions in the biocompatibility assessment of extractable chemical substances from medical devices
inferred← citeshttps://doi.org/10.1016/j.drudis.2013.02.001openalex-snapshot
Interactive design of generic chemical patterns
inferred← citeshttps://doi.org/10.1016/j.foodchem.2013.05.025openalex-snapshot
Dietary flavonoids fisetin, luteolin and their derived compounds inhibit arginase, a central enzyme in Leishmania (Leishmania) amazonensis infection
inferred← citeshttps://doi.org/10.1016/j.jbiotec.2017.06.004openalex-snapshot
From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.4c00205openalex-snapshot
Use of Structural Alerts for Reactive Metabolites in the Application SpotRM
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.8b00046openalex-snapshot
Systematic Approach to Organizing Structural Alerts for Reactive Metabolite Formation from Potential Drugs
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c00242openalex-snapshot
Differential Multimolecule Fingerprint for Similarity Search─Making Use of Active and Inactive Compound Sets in Virtual Screening
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c00992openalex-snapshot
Visualizing Generic Reaction Patterns
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01278openalex-snapshot
Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c02038openalex-snapshot
ADMET-PrInt: Evaluation of ADMET Properties: Prediction and Interpretation
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00323openalex-snapshot
Discriminative Chemical Patterns: Automatic and Interactive Design
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00522openalex-snapshot
Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00559openalex-snapshot
ZINC 15 – Ligand Discovery for Everyone
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c02952openalex-snapshot
Guiding Similarity Search in Chemical Fragment Spaces with Weighted Fingerprints
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00291openalex-snapshot
NAOMI nova: Interactive Geometric Analysis of Noncovalent Interactions in Macromolecular Structures
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00249openalex-snapshot
Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00250openalex-snapshot
Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c01235openalex-snapshot
A Perspective on Explanations of Molecular Prediction Models
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.1c01975openalex-snapshot
Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1–Nrf2 Protein–Protein Interaction
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c00960openalex-snapshot
Discovery of Small-Molecule TIM-3 Inhibitors for Acute Myeloid Leukemia Using Pharmacophore-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/acsenvironau.6c00036openalex-snapshot
How to Build Machine-Learning Models for Molecular Science: A Step-by-Step, Annotated Tutorial
inferred← citeshttps://doi.org/10.1021/bk-2021-1387.ch010openalex-snapshot
Teaching Computer-Aided Drug Design Using TeachOpenCADD
inferred← citeshttps://doi.org/10.1021/ci3001277openalex-snapshot
ZINC: A Free Tool to Discover Chemistry for Biology
inferred← citeshttps://doi.org/10.1021/ci400107kopenalex-snapshot
Searching for Recursively Defined Generic Chemical Patterns in Nonenumerated Fragment Spaces
inferred← citeshttps://doi.org/10.1021/jacs.1c08402openalex-snapshot
Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses
inferred← citeshttps://doi.org/10.1021/jm200187yopenalex-snapshot
The Medicinal Chemist’s Toolbox: An Analysis of Reactions Used in the Pursuit of Drug Candidates
inferred← citeshttps://doi.org/10.1021/jm3016816openalex-snapshot
Torsion Angle Preferences in Druglike Chemical Space: A Comprehensive Guide
inferred← citeshttps://doi.org/10.1021/jm501195eopenalex-snapshot
Discovery, Biological Evaluation, and Crystal Structure of a Novel Nanomolar Selective Butyrylcholinesterase Inhibitor
inferred← citeshttps://doi.org/10.1038/npjsba.2016.15openalex-snapshot
L1000CDS2: LINCS L1000 characteristic direction signatures search engine
inferred← citeshttps://doi.org/10.1038/s41467-025-56893-9openalex-snapshot
Virtual fragment screening for DNA repair inhibitors in vast chemical space
inferred← citeshttps://doi.org/10.1038/s41467-025-66845-yopenalex-snapshot
Ultra-large virtual screening unveils potent agonists of the neuromodulatory orphan receptor GPR139
inferred← citeshttps://doi.org/10.1038/s41598-019-45522-3openalex-snapshot
QSAR Classification Models for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer’s Disease
inferred← citeshttps://doi.org/10.1039/c7md00074jopenalex-snapshot
In silico prediction of chemical subcellular localization via multi-classification methods
inferred← citeshttps://doi.org/10.1039/d0ra10322eopenalex-snapshot
MeFSAT: a curated natural product database specific to secondary metabolites of medicinal fungi
inferred← citeshttps://doi.org/10.1074/jbc.m116.759118openalex-snapshot
PrenDB, a Substrate Prediction Database to Enable Biocatalytic Use of Prenyltransferases
inferred← citeshttps://doi.org/10.1080/1062936x.2011.645875openalex-snapshot
Pharmacophore-based database mining for probing fragmental drug-likeness of diketo acid analogues
inferred← citeshttps://doi.org/10.1080/1062936x.2019.1708460openalex-snapshot
Elucidating the aryl hydrocarbon receptor antagonism from a chemical-structural perspective
inferred← citeshttps://doi.org/10.1093/nar/gkv353openalex-snapshot
FAF-Drugs3: a web server for compound property calculation and chemical library design
inferred← citeshttps://doi.org/10.1186/1758-2946-3-s1-o12openalex-snapshot
Chemical pattern visualization in 2D – the SMARTSviewer
inferred← citeshttps://doi.org/10.1186/1758-2946-3-s1-p11openalex-snapshot
Searching substructures in fragment spaces
inferred← citeshttps://doi.org/10.1186/1758-2946-4-13openalex-snapshot
Systematic benchmark of substructure search in molecular graphs - From Ullmann to VF2
inferred← citeshttps://doi.org/10.1186/1758-2946-4-20openalex-snapshot
Mining collections of compounds with Screening Assistant 2
inferred← citeshttps://doi.org/10.1186/1758-2946-4-8openalex-snapshot
Structure-based classification and ontology in chemistry
inferred← citeshttps://doi.org/10.1186/s13321-016-0119-5openalex-snapshot
11th German Conference on Chemoinformatics (GCC 2015)
inferred← citeshttps://doi.org/10.1186/s13321-019-0382-3openalex-snapshot
Flexible heuristic algorithm for automatic molecule fragmentation: application to the UNIFAC group contribution model
inferred← citeshttps://doi.org/10.1186/s13321-020-00431-wopenalex-snapshot
CReM: chemically reasonable mutations framework for structure generation
inferred← citeshttps://doi.org/10.1371/journal.pone.0141719openalex-snapshot
Potential Compounds for Oral Cancer Treatment: Resveratrol, Nimbolide, Lovastatin, Bortezomib, Vorinostat, Berberine, Pterostilbene, Deguelin, Andrographolide, and Colchicine
inferred← citeshttps://doi.org/10.18260/2-1-370.660-115508openalex-snapshot
Programmatic Compilation of Chemical Data and Literature from PubChem using MATLAB
inferred← citeshttps://doi.org/10.2174/092986712800167356openalex-snapshot
Privileged Structures - Dream or Reality: Preferential Organization of Azanaphthalene Scaffold
inferred← citeshttps://doi.org/10.2174/0929867325666180904113616openalex-snapshot
Five Years of the KNIME Vernalis Cheminformatics Community Contribution
inferred← citeshttps://doi.org/10.2174/1386207311316040002openalex-snapshot
Probing a Chemical Space for Fragmental Topology-Activity Landscapes (FRAGTAL): Application for Diketo Acid and Catechol HIV Integrase Inhibitor Offspring Fragments
inferred← citeshttps://doi.org/10.26434/chemrxiv-2022-v5p6mopenalex-snapshot
Explaining structure-activity relationships using locally faithful surrogate models
inferred← citeshttps://doi.org/10.26434/chemrxiv-2022-v5p6m-v2openalex-snapshot
Explaining structure-activity relationships using locally faithful surrogate models
inferred← citeshttps://doi.org/10.26434/chemrxiv-2022-v5p6m-v3openalex-snapshot
Explaining molecular properties with natural language
inferred← citeshttps://doi.org/10.26434/chemrxiv-2022-vs838openalex-snapshot
Why does that molecule smell?
inferred← citeshttps://doi.org/10.3390/biom9020043openalex-snapshot
NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules
inferred← citeshttps://doi.org/10.6084/m9.figshare.12178002openalex-snapshot
Additional file 1 of CReM: chemically reasonable mutations framework for structure generation
inferred← citeshttps://doi.org/10.7287/peerj.1979v0.1/reviews/1openalex-snapshot
Peer Review #1 of "Origin of aromatase inhibitory activity via proteochemometric modeling (v0.1)"
inferred← citeshttps://doi.org/10.7287/peerj.1979v0.1/reviews/2openalex-snapshot
Peer Review #2 of "Origin of aromatase inhibitory activity via proteochemometric modeling (v0.1)"
inferred← citeshttps://doi.org/10.7287/peerj.1979v0.1/reviews/3openalex-snapshot
Peer Review #3 of "Origin of aromatase inhibitory activity via proteochemometric modeling (v0.1)"
inferred← citeshttps://doi.org/10.7287/peerj.1979v0.2/reviews/2openalex-snapshot
Peer Review #2 of "Origin of aromatase inhibitory activity via proteochemometric modeling (v0.2)"
inferred← citeshttps://doi.org/10.7717/peerj.1979openalex-snapshot
Origin of aromatase inhibitory activity via proteochemometric modeling
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.