On the public citation graph

Fuzzy Tricentric Pharmacophore Fingerprints. 1. Topological Fuzzy Pharmacophore Triplets and Adapted Molecular Similarity Scoring Schemes

0 signed · 92 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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/10.1002/3527603743.ch5openalex-snapshot
Strengths and Limitations of Pharmacophore‐Based Virtual Screening
inferredcites →https://doi.org/10.1002/qsar.200310002openalex-snapshot
Neighborhood Behavior. Fuzzy Molecular Descriptors and their Influence on the Relationship between Structural Similarity and Property Similarity
inferredcites →https://doi.org/10.1016/0022-2836(91)90193-aopenalex-snapshot
Amino acid substitution matrices from an information theoretic perspective
inferredcites →https://doi.org/10.1016/j.canlet.2004.09.044openalex-snapshot
c-Met as a target for human cancer and characterization of inhibitors for therapeutic intervention
inferredcites →https://doi.org/10.1016/j.cbpa.2004.04.003openalex-snapshot
Pursuing the leadlikeness concept in pharmaceutical research
inferredcites →https://doi.org/10.1016/j.chembiol.2005.01.004openalex-snapshot
Use of the Tubulin Bound Paclitaxel Conformation for Structure-Based Rational Drug Design
inferredcites →https://doi.org/10.1016/j.shpsc.2005.07.003openalex-snapshot
Integrating research and development: the emergence of rational drug design in the pharmaceutical industry
inferredcites →https://doi.org/10.1021/ci025634zopenalex-snapshot
Neighborhood Behavior of in Silico Structural Spaces with Respect to in Vitro Activity Spaces−A Novel Understanding of the Molecular Similarity Principle in the Context of Multiple Receptor Binding Profiles
inferredcites →https://doi.org/10.1021/ci025635ropenalex-snapshot
Neighborhood Behavior of in Silico Structural Spaces with Respect to In Vitro Activity Spaces−A Benchmark for Neighborhood Behavior Assessment of Different in Silico Similarity Metrics
inferredcites →https://doi.org/10.1021/ci034143ropenalex-snapshot
Spline-Fitting with a Genetic Algorithm: A Method for Developing Classification Structure−Activity Relationships
inferredcites →https://doi.org/10.1021/ci060027nopenalex-snapshot
Assessing the Discriminatory Power of Scoring Functions for Virtual Screening
inferredcites →https://doi.org/10.1021/ci960039gopenalex-snapshot
Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)
inferredcites →https://doi.org/10.1021/ci9800211openalex-snapshot
Chemical Similarity Searching
inferredcites →https://doi.org/10.1021/jm00001a020openalex-snapshot
Derivatives of cis-2-Amino-8-hydroxy-1-methyltetralin: Mixed 5-HT1A-Receptor Agonists and Dopamine D2-Receptor Antagonists
inferredcites →https://doi.org/10.1021/jm010036hopenalex-snapshot
Measuring Molecular Similarity and Diversity: Total Pharmacophore Diversity
inferredcites →https://doi.org/10.1021/jm031150yopenalex-snapshot
In Vitro and in Vivo Anti-Leishmanial Activity of Triterpenoid Saponins Isolated from Maesa balansae and Some Chemical Derivatives
inferredcites →https://doi.org/10.1021/jm049116mopenalex-snapshot
Application of Validated QSAR Models of D1Dopaminergic Antagonists for Database Mining
inferredcites →https://doi.org/10.1021/jm049418oopenalex-snapshot
Molecular Modeling and Molecular Dynamics Simulation of the Human A2BAdenosine Receptor. The Study of the Possible Binding Modes of the A2BReceptor Antagonists
inferredcites →https://doi.org/10.1021/jm0497141openalex-snapshot
A Comparison of Methods for Modeling Quantitative Structure−Activity Relationships
inferredcites →https://doi.org/10.1021/jm0500673openalex-snapshot
G-Protein-Coupled Receptor Affinity Prediction Based on the Use of a Profiling Dataset: QSAR Design, Synthesis, and Experimental Validation
inferredcites →https://doi.org/10.1021/jm050316nopenalex-snapshot
Enhancing the Effectiveness of Similarity-Based Virtual Screening Using Nearest-Neighbor Information
inferredcites →https://doi.org/10.1021/jm050549eopenalex-snapshot
Pharmacophore-Based Design of HIV-1 Integrase Strand-Transfer Inhibitors
inferredcites →https://doi.org/10.1021/jm050619hopenalex-snapshot
Extraction and Visualization of Potential Pharmacophore Points Using Support Vector Machines: Application to Ligand-Based Virtual Screening for COX-2 Inhibitors
inferredcites →https://doi.org/10.1021/jm9806998openalex-snapshot
New 4-Point Pharmacophore Method for Molecular Similarity and Diversity Applications: Overview of the Method and Applications, Including a Novel Approach to the Design of Combinatorial Libraries Containing Privileged Substructures
inferredcites →https://doi.org/10.1021/js960177kopenalex-snapshot
Prediction of Distribution Coefficient from Structure. 1. Estimation Method
inferredcites →https://doi.org/10.1177/1087057105281220openalex-snapshot
Virtual Ligand Screening against Escherichia coli Dihydrofolate Reductase: Improving Docking Enrichment Using Physics-Based Methods

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527633326.ch5openalex-snapshot
Pharmacophore Models for Virtual Screening
inferred← citeshttps://doi.org/10.1002/chin.200707214openalex-snapshot
Fuzzy Tricentric Pharmacophore Fingerprints. Part 1. Topological Fuzzy Pharmacophore Triplets and Adapted Molecular Similarity Scoring Schemes.
inferred← citeshttps://doi.org/10.1002/cmdc.201402126openalex-snapshot
Design of a General‐Purpose European Compound Screening Library for EU‐OPENSCREEN
inferred← citeshttps://doi.org/10.1002/minf.201000022openalex-snapshot
Pharmacophores in Drug Research
inferred← citeshttps://doi.org/10.1002/minf.201000099openalex-snapshot
ISIDA Property‐Labelled Fragment Descriptors
inferred← citeshttps://doi.org/10.1002/minf.201200004openalex-snapshot
QSAR Modelling of CYP3A4 Inhibition as a Screening Tool in the Context of DrugDrug Interaction Studies
inferred← citeshttps://doi.org/10.1002/minf.201200078openalex-snapshot
Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps
inferred← citeshttps://doi.org/10.1002/minf.201200127openalex-snapshot
Cyclic Systems Distribution Along Similarity Measures: Insights for an Application to Activity Landscape Modeling
inferred← citeshttps://doi.org/10.1002/minf.201300057openalex-snapshot
Topological Fingerprints as an Aid in Finding Structural Patterns for LRRK2 Inhibition
inferred← citeshttps://doi.org/10.1002/minf.202060030openalex-snapshot
Multiple Conformer Descriptors for QSAR Modeling
inferred← citeshttps://doi.org/10.1002/minf.202300206openalex-snapshot
Similarity searching for anticandidal agents employing a repurposing approach
inferred← citeshttps://doi.org/10.1002/wcms.1698openalex-snapshot
Chemical complexity challenge: Is multi‐instance machine learning a solution?
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_11openalex-snapshot
Pharmacophore-Based Virtual Screening
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_9openalex-snapshot
Fragment Descriptors in Structure–Property Modeling and Virtual Screening
inferred← citeshttps://doi.org/10.1007/978-3-031-98022-0_5openalex-snapshot
Artificial Intelligence in Ligand-Based Drug Design
inferred← citeshttps://doi.org/10.1007/s10822-011-9416-2openalex-snapshot
Local neighborhood behavior in a combinatorial library context
inferred← citeshttps://doi.org/10.1007/s10822-014-9743-1openalex-snapshot
Computational chemogenomics: Is it more than inductive transfer?
inferred← citeshttps://doi.org/10.1007/s10822-018-0101-6openalex-snapshot
Assessment of tautomer distribution using the condensed reaction graph approach
inferred← citeshttps://doi.org/10.1007/s11030-015-9609-zopenalex-snapshot
Activity cliffs and activity cliff generators based on chemotype-related activity landscapes
inferred← citeshttps://doi.org/10.1007/s11094-024-03240-9openalex-snapshot
In Silico and In Vitro Studies of the Biological Activity of 5-Substituted Derivatives of N1-Carboxymethyl-5-Fluorouracil: Potential 5-Fluorouracil Prodrugs
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.04.005openalex-snapshot
Activity landscape modeling of PPAR ligands with dual-activity difference maps
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.04.024openalex-snapshot
Using self-organizing maps to accelerate similarity search
inferred← citeshttps://doi.org/10.1016/j.ddtec.2010.10.004openalex-snapshot
‘Fuzziness’ in pharmacophore-based virtual screening and de novo design
inferred← citeshttps://doi.org/10.1016/j.ejmech.2020.113110openalex-snapshot
The giardicidal activity of lobendazole, fabomotizole, tenatoprazole and ipriflavone: A ligand-based virtual screening and in vitro study
inferred← citeshttps://doi.org/10.1016/j.isci.2025.113452openalex-snapshot
SMCseeker: An attentive virtual screening model for antiviral discovery
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2025.138044openalex-snapshot
Unveiling drug-induced osteotoxicity: A machine learning approach and webserver
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00589openalex-snapshot
Pharmacoprint: A Combination of a Pharmacophore Fingerprint and Artificial Intelligence as a Tool for Computer-Aided Drug Design
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.2c01623openalex-snapshot
3D-Sensitive Encoding of Pharmacophore Features
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c00772openalex-snapshot
Quantum-Informed Molecular Representation Learning Enhancing ADMET Property Prediction
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00505openalex-snapshot
MayaChemTools: An Open Source Package for Computational Drug Discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00757openalex-snapshot
Conservation and Relevance of Pharmacophore Point Types
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b00865openalex-snapshot
Design, Virtual Screening, and Synthesis of Antagonists of αIIbβ3 as Antiplatelet Agents
inferred← citeshttps://doi.org/10.1021/acsomega.1c07144openalex-snapshot
ELIXIR-A: An Interactive Visualization Tool for Multi-Target Pharmacophore Refinement
inferred← citeshttps://doi.org/10.1021/ci200409xopenalex-snapshot
Machine Learning Methods for Property Prediction in Chemoinformatics:Quo Vadis?
inferred← citeshttps://doi.org/10.1021/ci300149nopenalex-snapshot
Mining Chemical Reactions Using Neighborhood Behavior and Condensed Graphs of Reactions Approaches
inferred← citeshttps://doi.org/10.1021/ci400106gopenalex-snapshot
Do Not Hesitate to Use Tversky—and Other Hints for Successful Active Analogue Searches with Feature Count Descriptors
inferred← citeshttps://doi.org/10.1021/ci400723mopenalex-snapshot
Synthesis, Bioassay, and Molecular Field Topology Analysis of Diverse Vasodilatory Heterocycles
inferred← citeshttps://doi.org/10.1021/ci500721xopenalex-snapshot
Analyzing Multitarget Activity Landscapes Using Protein–Ligand Interaction Fingerprints: Interaction Cliffs
inferred← citeshttps://doi.org/10.1021/ci7003237openalex-snapshot
Fuzzy Tricentric Pharmacophore Fingerprints. 2. Application of Topological Fuzzy Pharmacophore Triplets in Quantitative Structure−Activity Relationships
inferred← citeshttps://doi.org/10.1021/ci700356wopenalex-snapshot
Combining Pharmacophore Fingerprints and PLS-Discriminant Analysis for Virtual Screening and SAR Elucidation
inferred← citeshttps://doi.org/10.1021/ci9000579openalex-snapshot
Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models
inferred← citeshttps://doi.org/10.1038/s42256-021-00335-wopenalex-snapshot
A machine learning platform to estimate anti-SARS-CoV-2 activities
inferred← citeshttps://doi.org/10.1039/9781847558879-00001openalex-snapshot
Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening
inferred← citeshttps://doi.org/10.1039/9781847558879-00044openalex-snapshot
Topological Pharmacophores
inferred← citeshttps://doi.org/10.1039/9781847558879-00120openalex-snapshot
Molecular Similarity Analysis in Virtual Screening
inferred← citeshttps://doi.org/10.1101/798561openalex-snapshot
KinasepKipred: A Predictive Model for Estimating Ligand-Kinase Inhibitor Constant ( pK i )
inferred← citeshttps://doi.org/10.1177/026119290903700505openalex-snapshot
The Use of Computer Models in Pharmaceutical Safety Evaluation
inferred← citeshttps://doi.org/10.1186/s13321-016-0130-xopenalex-snapshot
Improving chemical similarity ensemble approach in target prediction
inferred← citeshttps://doi.org/10.1186/s13321-018-0306-7openalex-snapshot
Choquet integral-based fuzzy molecular characterizations: when global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs)
inferred← citeshttps://doi.org/10.21203/rs.3.rs-6295317/v1openalex-snapshot
Computational Prediction of Drug-Induced Hematotoxicity: Mechanisms and Model Development
inferred← citeshttps://doi.org/10.21203/rs.3.rs-76894/v1openalex-snapshot
REDIAL-2020: A suite of machine learning models to estimate Anti-SARS-CoV-2 activities
inferred← citeshttps://doi.org/10.2174/9781608057450113010005openalex-snapshot
Building a Chemical Space Based on Fragment Descriptors
inferred← citeshttps://doi.org/10.26434/chemrxiv.12915779.v1openalex-snapshot
REDIAL-2020: A Suite of Machine Learning Models to Estimate Anti-SARS-CoV-2 Activities
inferred← citeshttps://doi.org/10.26434/chemrxiv.12915779.v2openalex-snapshot
REDIAL-2020: A Suite of Machine Learning Models to Estimate Anti-SARS-CoV-2 Activities
inferred← citeshttps://doi.org/10.33250/14.01.043openalex-snapshot
Комплексный подход к разработке и созданию компьютерной программы виртуального скрининга антиоксидантной активности
inferred← citeshttps://doi.org/10.3389/fimmu.2026.1700347openalex-snapshot
Identification and validation of γ-Linolenic acid as a natural FABP5 inhibitor in hepatocellular carcinoma through deep learning and experimental approaches
inferred← citeshttps://doi.org/10.3390/challe5020450openalex-snapshot
An Evolutionary Optimizer of libsvm Models
inferred← citeshttps://doi.org/10.3390/ijms27083543openalex-snapshot
Neurotoxicity Prediction of Compounds: Integrating Knowledge-Guided Graph Representations with Machine Learning Approaches
inferred← citeshttps://doi.org/10.3390/molecules27072331openalex-snapshot
Introducing a Chemically Intuitive Core-Substituent Fingerprint Designed to Explore Structural Requirements for Effective Similarity Searching and Machine Learning
inferred← citeshttps://doi.org/10.4103/atn.atn-d-24-00034openalex-snapshot
Integrating molecular fingerprints with machine learning for accurate neurotoxicity prediction: an observational study
inferred← citeshttps://doi.org/10.70675/2b63c353z8184z4bbbzbfbcz9ce124edd263openalex-snapshot
New methods of multiscale chemical space analysis : visualization of structure-activity relationships and structural pattern extraction
inferred← citeshttps://doi.org/10.70675/50158fa9z2b5fz48cfzb16cz4f95b63cb87fopenalex-snapshot
Property-enriched fragment descriptors for adaptive QSAR
inferred← citeshttps://doi.org/10.70675/6da007edz02eaz4e97z8d1bzd4ff2baa1336openalex-snapshot
Espaces chimiques optimaux pour la recherche par similarité, la classification et la modélisation de réactions chimiques représentées par des graphes condensés de réactions
inferred← citeshttps://doi.org/10.70675/ab76b9fcze4cbz45a3z950dz023b6506d0acopenalex-snapshot
Predictive models for kinetic and thermodynamic parameters of reactions
inferred← citeshttps://doi.org/10.70675/f0cedbe1z6c18z48e4z901cza22a3ae4e98aopenalex-snapshot
Les triplets pharmacophoriques flous : développement et applications
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.