On the public citation graph

Scaffold Hopping in Drug Discovery Using Inductive Logic Programming

0 signed · 74 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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/(sici)1521-3773(19991004)38:19<2894::aid-anie2894>3.0.co;2-fopenalex-snapshot

“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening

inferredcites →https://doi.org/10.1002/cbic.200400332openalex-snapshot

New Allosteric Modulators of Metabotropic Glutamate Receptor 5 (mGluR5) Found by Ligand‐Based Virtual Screening

inferredcites →https://doi.org/10.1002/cbic.200400376openalex-snapshot

New Inhibitors of the Tat–TAR RNA Interaction Found with a “Fuzzy” Pharmacophore Model

inferredcites →https://doi.org/10.1002/cmdc.200500005openalex-snapshot

Scaffold‐Hopping Potential of Ligand‐Based Similarity Concepts

inferredcites →https://doi.org/10.1002/qsar.200310005openalex-snapshot

Structure Activity Relationships (SAR) and Pharmacophore Discovery Using Inductive Logic Programming (ILP)

inferredcites →https://doi.org/10.1007/3-540-44960-4_8openalex-snapshot

Theory Completion Using Inverse Entailment

inferredcites →https://doi.org/10.1007/978-1-4757-2440-0openalex-snapshot

The Nature of Statistical Learning Theory

inferredcites →https://doi.org/10.1007/978-1-4757-3264-1_6openalex-snapshot

Methods of Pattern Recognition

inferredcites →https://doi.org/10.1007/bf03037089openalex-snapshot

Inductive logic programming

inferredcites →https://doi.org/10.1007/bf03037227openalex-snapshot

Inverse entailment and progol

inferredcites →https://doi.org/10.1007/s10822-007-9113-3openalex-snapshot

Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds

inferredcites →https://doi.org/10.1016/s0960-894x(02)00169-5openalex-snapshot

Scaffold hopping and optimization towards libraries of glycogen synthase kinase-3 inhibitors

inferredcites →https://doi.org/10.1016/s1074-5521(03)00170-4openalex-snapshot

Cell-Active Dual Specificity Phosphatase Inhibitors Identified by High-Content Screening

inferredcites →https://doi.org/10.1016/s1359-6446(02)02411-xopenalex-snapshot

Why do we need so many chemical similarity search methods?

inferredcites →https://doi.org/10.1021/ci050075sopenalex-snapshot

Impact of Conformational Flexibility on Three-Dimensional Similarity Searching Using Correlation Vectors

inferredcites →https://doi.org/10.1021/ci600223dopenalex-snapshot

A Novel Logic-Based Approach for Quantitative Toxicology Prediction

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

Chemical Similarity Searching

inferredcites →https://doi.org/10.1021/ci9803381openalex-snapshot

Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets

inferredcites →https://doi.org/10.1021/jm030563wopenalex-snapshot

Conformational Analysis of Drug-Like Molecules Bound to Proteins: An Extensive Study of Ligand Reorganization upon Binding

inferredcites →https://doi.org/10.1021/jm060655wopenalex-snapshot

Identification of Natural-Product-Derived Inhibitors of 5-Lipoxygenase Activity by Ligand-Based Virtual Screening

inferredcites →https://doi.org/10.1023/b:jcam.0000017375.61558.adopenalex-snapshot

Comparison of correlation vector methods for ligand-based similarity searching

inferredcites →https://doi.org/10.1038/nature02236openalex-snapshot

Functional genomic hypothesis generation and experimentation by a robot scientist

inferredcites →https://doi.org/10.1038/nature03193openalex-snapshot

Navigating chemical space for biology and medicine

inferredcites →https://doi.org/10.1038/nbt0803-859openalex-snapshot

Screening for content—the evolution of high throughput

inferredcites →https://doi.org/10.1038/nbt1186openalex-snapshot

Statistical practice in high-throughput screening data analysis

inferredcites →https://doi.org/10.1038/nrd941openalex-snapshot

Integration of virtual and high-throughput screening

inferredcites →https://doi.org/10.1073/pnas.93.1.438openalex-snapshot

Structure-activity relationships derived by machine learning: the use of atoms and their bond connectivities to predict mutagenicity by inductive logic programming.

inferredcites →https://doi.org/10.1126/science.1105511openalex-snapshot

NIH Molecular Libraries Initiative

inferredcites →https://doi.org/10.1198/004017002317375064openalex-snapshot

A Modification of the Jaccard–Tanimoto Similarity Index for Diverse Selection of Chemical Compounds Using Binary Strings

inferredcites →https://doi.org/10.2174/1386207043328706openalex-snapshot

Virtual Screening Methods that Complement HTS

inferredcites →https://doi.org/10.2174/138955706778742768openalex-snapshot

On Scaffolds and Hopping in Medicinal Chemistry

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527655984.ch10openalex-snapshot

Applications of Rule‐Based Methods to Data Mining of Polypharmacology Data Sets

inferred← citeshttps://doi.org/10.1002/chin.200833212openalex-snapshot

ChemInform Abstract: Scaffold Hopping in Drug Discovery Using Inductive Logic Programming.

inferred← citeshttps://doi.org/10.1002/cmdc.200800355openalex-snapshot

SHOP: A Method For Structure‐Based Fragment and Scaffold Hopping

inferred← citeshttps://doi.org/10.1002/med.20241openalex-snapshot

HIV‐1 NNRTIs: structural diversity, pharmacophore similarity, and impliations for drug design

inferred← citeshttps://doi.org/10.1002/minf.201000099openalex-snapshot

ISIDA Property‐Labelled Fragment Descriptors

inferred← citeshttps://doi.org/10.1002/minf.201700022openalex-snapshot

Non a Priori Automatic Discovery of 3D Chemical Patterns: Application to Mutagenicity

inferred← citeshttps://doi.org/10.1002/ps.4353openalex-snapshot

Insecticidal activity of novel thioureas and isothioureas

inferred← citeshttps://doi.org/10.1002/slct.202502455openalex-snapshot

Design and Evaluation of Promising Small‐Molecule Inhibitors of Pd‐L1 Against Cancer Immunotherapy: From Scaffold Hopping to Stability Analysis

inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_11openalex-snapshot

Pharmacophore-Based Virtual Screening

inferred← citeshttps://doi.org/10.1007/978-3-319-56850-8_8openalex-snapshot

Quantitative Structure-Epigenetic Activity Relationships

inferred← citeshttps://doi.org/10.1007/978-3-642-54105-6_6openalex-snapshot

ILP Characterization of 3D Protein-Binding Sites and FCA-Based Interpretation

inferred← citeshttps://doi.org/10.1007/978-981-16-8969-7_4openalex-snapshot

In Silico Drug Discovery for Treatment of Virus Diseases

inferred← citeshttps://doi.org/10.1007/s10989-011-9286-4openalex-snapshot

Peptide Scaffolds: Flexible Molecular Structures With Diverse Therapeutic Potentials

inferred← citeshttps://doi.org/10.1007/s10994-019-05798-yopenalex-snapshot

Online probabilistic theory revision from examples with ProPPR

inferred← citeshttps://doi.org/10.1016/b978-0-12-420002-9.00004-4openalex-snapshot

Construction and Validation of Food Webs Using Logic-Based Machine Learning and Text Mining

inferred← citeshttps://doi.org/10.1016/j.chemolab.2009.07.011openalex-snapshot

Application of data mining to quantitative structure-activity relationship using rough set theory

inferred← citeshttps://doi.org/10.1016/j.jhazmat.2025.137650openalex-snapshot

Development of a deep neural network model based on high throughput screening data for predicting synergistic estrogenic activity of binary mixtures for consumer products

inferred← citeshttps://doi.org/10.1021/ci200036mopenalex-snapshot

Automatic Tailoring and Transplanting: A Practical Method that Makes Virtual Screening More Useful

inferred← citeshttps://doi.org/10.1021/ci2003945openalex-snapshot

Development of a Method To Consistently Quantify the Structural Distance between Scaffolds and To Assess Scaffold Hopping Potential

inferred← citeshttps://doi.org/10.1021/ci200409xopenalex-snapshot

Machine Learning Methods for Property Prediction in Chemoinformatics:Quo Vadis?

inferred← citeshttps://doi.org/10.1021/ci900072gopenalex-snapshot

Searching Chemical Space with the Bayesian Idea Generator

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/10.1021/jm100492zopenalex-snapshot

Scaffold Hopping Using Two-Dimensional Fingerprints: True Potential, Black Magic, or a Hopeless Endeavor? Guidelines for Virtual Screening

inferred← citeshttps://doi.org/10.1021/jm301066hopenalex-snapshot

Structure–Activity Relationships in Human Toll-like Receptor 8-Active 2,3-Diamino-furo[2,3- c ]pyridines

inferred← citeshttps://doi.org/10.1021/jp212084fopenalex-snapshot

Assessment of a Rule-Based Virtual Screening Technology (INDDEx) on a Benchmark Data Set

inferred← citeshttps://doi.org/10.1038/s41598-017-13798-yopenalex-snapshot

A novel library of -arylketones as potential inhibitors of α-glucosidase: Their design, synthesis, in vitro and in vivo studies

inferred← citeshttps://doi.org/10.1039/c0md00156bopenalex-snapshot

Global assessment of scaffold hopping potential for current pharmaceutical targets

inferred← citeshttps://doi.org/10.1080/07391102.2020.1786460openalex-snapshot

Development of triple mutant T790M/C797S allosteric EGFR inhibitors: a computational approach

inferred← citeshttps://doi.org/10.1093/oso/9780198862536.003.0015openalex-snapshot

Human–Machine Scientific Discovery

inferred← citeshttps://doi.org/10.1109/bibm.2015.7359801openalex-snapshot

ILP based screening applied to predicting carbonic anhydrase II ligands

inferred← citeshttps://doi.org/10.1109/icprime.2013.6496717openalex-snapshot

CRY — An improved crop yield prediction model using bee hive clustering approach for agricultural data sets

inferred← citeshttps://doi.org/10.1145/3534678.3539421openalex-snapshot

RLogic: Recursive Logical Rule Learning from Knowledge Graphs

inferred← citeshttps://doi.org/10.11606/t.76.2009.tde-23042009-145454openalex-snapshot

Planejamento racional de novos agentes quimioterápicos: Identificação e estudos cinéticos de novos inibidores da gliceraldeído-3-fosfato desidrogenase glicossomal de Trypanosoma cruzi

inferred← citeshttps://doi.org/10.1186/1471-2105-15-309openalex-snapshot

Predicting virus mutations through relational learning

inferred← citeshttps://doi.org/10.1186/1752-153x-4-1openalex-snapshot

The development of a knowledge base for basic active structures: an example case of dopamine agonists

inferred← citeshttps://doi.org/10.1186/1756-0500-7-802openalex-snapshot

In silico work flow for scaffold hopping in Leishmania

inferred← citeshttps://doi.org/10.1504/ijbra.2013.056076openalex-snapshot

Receptor-based pharmacophore tool for design and development of next-generation drugs

inferred← citeshttps://doi.org/10.15168/11572_367705openalex-snapshot

Statistical Relational Learning for Proteomics: Function, Interactions and Evolution

inferred← citeshttps://doi.org/10.2174/092986712801661112openalex-snapshot

Structure and Ligand Based Drug Design Strategies in the Development of Novel 5- LOX Inhibitors

inferred← citeshttps://doi.org/10.3390/ph19081248openalex-snapshot

Chemical Scaffolds Driving Modern Anticancer Drug Discovery and Radiotheranostics: Structural Determinants, Translational Opportunities and Future Perspectives

inferred← citeshttps://doi.org/10.4155/fmc.11.15openalex-snapshot

Recent Trends and Observations in the Design of High-Quality Screening Collections

inferred← citeshttps://doi.org/10.4155/fmc.15.51openalex-snapshot

Activity and Property Landscape Modeling is at the Interface of Chemoinformatics and Medicinal Chemistry

inferred← citeshttps://doi.org/10.70675/50158fa9z2b5fz48cfzb16cz4f95b63cb87fopenalex-snapshot

Property-enriched fragment descriptors for adaptive QSAR

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.