On the public citation graph

Ligand-Target Interaction-Based Weighting of Substructures for Virtual Screening

0 signed · 62 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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.200700199openalex-snapshot

Similarity Searching using Compound Class‐Specific Combinations of Substructures Found in Randomly Generated Molecular Fragment Populations

inferredcites →https://doi.org/10.1002/qsar.200510157openalex-snapshot

A Fragment‐weighted Key‐based Similarity Measure for Use in Structural Clustering and Virtual Screening

inferredcites →https://doi.org/10.1006/jmbi.1996.0477openalex-snapshot

A Fast Flexible Docking Method using an Incremental Construction Algorithm

inferredcites →https://doi.org/10.1007/bf00126743openalex-snapshot

The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

inferredcites →https://doi.org/10.1016/j.drudis.2006.10.005openalex-snapshot

Similarity-based virtual screening using 2D fingerprints

inferredcites →https://doi.org/10.1016/s1359-6446(03)02740-5openalex-snapshot

Chemical substructures in drug discovery

inferredcites →https://doi.org/10.1021/ci010132ropenalex-snapshot

Reoptimization of MDL Keys for Use in Drug Discovery

inferredcites →https://doi.org/10.1021/ci034207yopenalex-snapshot

Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier

inferredcites →https://doi.org/10.1021/ci034231bopenalex-snapshot

Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures

inferredcites →https://doi.org/10.1021/ci0498719openalex-snapshot

Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance

inferredcites →https://doi.org/10.1021/ci600342eopenalex-snapshot

Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints

inferredcites →https://doi.org/10.1021/ci6003652openalex-snapshot

Chemical Fragment Spaces for de novo Design

inferredcites →https://doi.org/10.1021/ci960090kopenalex-snapshot

Chemical Fragment Generation and Clustering Software

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/ci970431+openalex-snapshot

Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms

inferredcites →https://doi.org/10.1021/ci9800211openalex-snapshot

Chemical Similarity Searching

inferredcites →https://doi.org/10.1021/jm030331xopenalex-snapshot

Structural Interaction Fingerprint (SIFt): A Novel Method for Analyzing Three-Dimensional Protein−Ligand Binding Interactions

inferredcites →https://doi.org/10.1021/jm0310479openalex-snapshot

Structure-Based Optimization of Novel Azepane Derivatives as PKB Inhibitors

inferredcites →https://doi.org/10.1021/jm060999mopenalex-snapshot

Prediction of Protein−Ligand Interactions. Docking and Scoring: Successes and Gaps

inferredcites →https://doi.org/10.1021/jm701314uopenalex-snapshot

“Virtual Fragment Linking”: An Approach To Identify Potent Binders from Low Affinity Fragment Hits

inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot

Docking and scoring in virtual screening for drug discovery: methods and applications

inferredcites →https://doi.org/10.1038/nrd2220openalex-snapshot

A decade of fragment-based drug design: strategic advances and lessons learned

inferredcites →https://doi.org/10.1039/b409865jopenalex-snapshot

Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

inferredcites →https://doi.org/10.1080/10629369808033260openalex-snapshot

An Evaluation of Structural Descriptors and Clustering Methods for Use in Diversity Selection

inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-snapshot

The Protein Data Bank

inferredcites →https://doi.org/10.2174/1386207003331454openalex-snapshot

Molecular Descriptors in Chemoinformatics, Computational Combinatorial Chemistry, and Virtual Screening

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527665143.ch14openalex-snapshot

Molecular Interaction Fingerprints

inferred← citeshttps://doi.org/10.1002/chin.200904214openalex-snapshot

ChemInform Abstract: Ligand‐Target Interaction‐Based Weighting of Substructures for Virtual Screening.

inferred← citeshttps://doi.org/10.1002/ejoc.201300909openalex-snapshot

Synthesis of ortho‐Hydroxybenzophenones Catalyzed by Magnetically Retrievable Fe3O4 Nanoparticles under Ligand‐Free Conditions

inferred← citeshttps://doi.org/10.1002/jcc.26840openalex-snapshot

PharmRF : A machine‐learning scoring function to identify the best protein‐ligand complexes for structure‐based pharmacophore screening with high enrichments

inferred← citeshttps://doi.org/10.1007/7355_2009_3openalex-snapshot

Lead Discovery Using Virtual Screening

inferred← citeshttps://doi.org/10.1007/s10822-009-9284-1openalex-snapshot

The multiple roles of computational chemistry in fragment-based drug design

inferred← citeshttps://doi.org/10.1007/s10822-009-9285-0openalex-snapshot

Analysis and use of fragment-occurrence data in similarity-based virtual screening

inferred← citeshttps://doi.org/10.1016/b978-0-323-95488-4.00147-9openalex-snapshot

Computational Toxicology

inferred← citeshttps://doi.org/10.1016/j.csbj.2021.11.018openalex-snapshot

Structure-based protein–ligand interaction fingerprints for binding affinity prediction

inferred← citeshttps://doi.org/10.1016/j.pbiomolbio.2014.05.006openalex-snapshot

Polypharmacology rescored: Protein–ligand interaction profiles for remote binding site similarity assessment

inferred← citeshttps://doi.org/10.1016/j.tetlet.2010.02.166openalex-snapshot

Direct C–H bond arylation of 2-hydroxybenzaldehydes with arylboronic acids via ligand-free palladium catalysis

inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00017openalex-snapshot

Protein–Ligand Empirical Interaction Components for Virtual Screening

inferred← citeshttps://doi.org/10.1021/ci1001197openalex-snapshot

Rationalization of the Performance and Target Dependence of Similarity Searching Incorporating Protein−Ligand Interaction Information

inferred← citeshttps://doi.org/10.1021/ci300566nopenalex-snapshot

Encoding Protein–Ligand Interaction Patterns in Fingerprints and Graphs

inferred← citeshttps://doi.org/10.1021/ci900382eopenalex-snapshot

Combining Machine Learning and Pharmacophore-Based Interaction Fingerprint for in Silico Screening

inferred← citeshttps://doi.org/10.1021/ci900419kopenalex-snapshot

Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation

inferred← citeshttps://doi.org/10.1038/s41598-017-11924-4openalex-snapshot

From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns

inferred← citeshttps://doi.org/10.1038/s41598-025-18132-5openalex-snapshot

GENEOnet: a breakthrough in protein binding pocket detection using group equivariant non-expansive operators

inferred← citeshttps://doi.org/10.1039/c5ra18890copenalex-snapshot

First direct access to 2-hydroxybenzophenones via nickel-catalyzed cross-coupling of 2-hydroxybenzaldehydes with aryl iodides

inferred← citeshttps://doi.org/10.1039/c6ra04567gopenalex-snapshot

Copper catalyzed oxidative deamination of Betti bases: an efficient approach for benzoylation/formylation of naphthols and phenols

inferred← citeshttps://doi.org/10.1074/jbc.ra119.009860openalex-snapshot

A selective small-molecule inhibitor of macrophage migration inhibitory factor-2 (MIF-2), a MIF cytokine superfamily member, inhibits MIF-2 biological activity

inferred← citeshttps://doi.org/10.1080/17460441.2021.1929921openalex-snapshot

Computational representations of protein–ligand interfaces for structure-based virtual screening

inferred← citeshttps://doi.org/10.1093/bioinformatics/btz336openalex-snapshot

Precise modelling and interpretation of bioactivities of ligands targeting G protein-coupled receptors

inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00829.xopenalex-snapshot

Utilizing Target–Ligand Interaction Information in Fingerprint Searching for Ligands of Related Targets

inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00890.xopenalex-snapshot

Three‐Dimensional Protein–Ligand Interaction Scaling of Two‐Dimensional Fingerprints

inferred← citeshttps://doi.org/10.1111/j.1747-0285.2010.01007.xopenalex-snapshot

Computational Methodologies for Compound Database Searching that Utilize Experimental Protein–Ligand Interaction Information

inferred← citeshttps://doi.org/10.1186/s13321-021-00545-9openalex-snapshot

2D SIFt: a matrix of ligand-receptor interactions

inferred← citeshttps://doi.org/10.1186/s13321-024-00822-3openalex-snapshot

Systematic analysis, aggregation and visualisation of interaction fingerprints for molecular dynamics simulation data

inferred← citeshttps://doi.org/10.1517/17460441.2010.486830openalex-snapshot

Advances in 2D fingerprint similarity searching

inferred← citeshttps://doi.org/10.3390/biom14010072openalex-snapshot

Fingerprinting Interactions between Proteins and Ligands for Facilitating Machine Learning in Drug Discovery

inferred← citeshttps://doi.org/10.4018/978-1-5225-0115-2.ch005openalex-snapshot

Protein Ligand Interaction Fingerprints

inferred← citeshttps://doi.org/10.4018/978-1-5225-1762-7.ch041openalex-snapshot

Protein Ligand Interaction Fingerprints

inferred← citeshttps://doi.org/10.4155/fmc.11.18openalex-snapshot

Integrating Structure-Based and Ligand-Based Approaches for Computational Drug Design

inferred← citeshttps://doi.org/10.4155/fmc.12.126openalex-snapshot

Fingerprint Design And Engineering Strategies: Rationalizing And Improving Similarity Search Performance

inferred← citeshttps://doi.org/10.6084/m9.figshare.16590419openalex-snapshot

Additional file 1 of 2D SIFt: a matrix of ligand-receptor interactions

inferred← citeshttps://doi.org/10.6084/m9.figshare.26692564openalex-snapshot

Additional file 1 of Systematic analysis, aggregation and visualisation of interaction fingerprints for molecular dynamics simulation data

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.