On the public citation graph

4D-Fingerprints, Universal QSAR and QSPR Descriptors

https://doi.org/10.1021/ci049898s
0 signed · 76 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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/10.1016/0160-9327(86)90116-xopenalex-snapshot
Molecular connectivity in structure-activity analysis
inferredcites →https://doi.org/10.1021/ci0200321openalex-snapshot
3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABAA Receptor Site Using 4D-QSAR Analysis
inferredcites →https://doi.org/10.1021/ci990032+openalex-snapshot
Construction of a Virtual High Throughput Screen by 4D-QSAR Analysis: Application to a Combinatorial Library of Glucose Inhibitors of Glycogen Phosphorylase b
inferredcites →https://doi.org/10.1021/ci9900332openalex-snapshot
Prediction of Ligand−Receptor Binding Free Energy by 4D-QSAR Analysis: Application to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase
inferredcites →https://doi.org/10.1021/ja00526a014openalex-snapshot
BC(DEF) parameters. 2. An empirical structure-based scheme for the prediction of some physical properties
inferredcites →https://doi.org/10.1021/ja00526a015openalex-snapshot
Kinetics and mechanism of hydrolysis of a silicate triester, tris(2-methoxyethoxy)phenylsilane
inferredcites →https://doi.org/10.1021/ja9718937openalex-snapshot
Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism
inferredcites →https://doi.org/10.1021/jm00186a013openalex-snapshot
Synthesis, biological evaluation, and preliminary structure-activity considerations of a series of alkylphenols as intravenous anesthetic agents
inferredcites →https://doi.org/10.1021/jm010461aopenalex-snapshot
4D-QSAR Analysis of a Set of Propofol Analogues: Mapping Binding Sites for an Anesthetic Phenol on the GABAA Receptor

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/cem.2415openalex-snapshot
Novel algorithm to select basis functions in spline regression: applications in quantitative structure–activity relationship studies
inferred← citeshttps://doi.org/10.1002/jcc.27016openalex-snapshot
Advancing molecular graphs with descriptors for the prediction of chemical reaction yields
inferred← citeshttps://doi.org/10.1002/jps.21086openalex-snapshot
Combined 4D‐Fingerprint and Clustering Based Membrane‐Interaction QSAR Analyses for Constructing Consensus Caco‐2 Cell Permeation Virtual Screens
inferred← citeshttps://doi.org/10.1007/7081_038openalex-snapshot
QSAR and Molecular Modeling Studies of HIV Protease Inhibitors
inferred← citeshttps://doi.org/10.1007/978-1-4614-1247-2_7openalex-snapshot
Medicinal Chemistry and Ligand Profiling for Evaluation of Promising Marine Bioactive Molecules
inferred← citeshttps://doi.org/10.1007/978-3-642-27737-5_625-1openalex-snapshot
Digital Communication and Chemical Structure Codification
inferred← citeshttps://doi.org/10.1007/978-3-642-27737-5_625-2openalex-snapshot
Digital Communication and Chemical Structure Codification
inferred← citeshttps://doi.org/10.1007/978-981-16-5180-9_17openalex-snapshot
Quantitative Structure-Property Relationship (QSPR) Modeling Applications in Formulation Development
inferred← citeshttps://doi.org/10.1007/s10822-008-9190-yopenalex-snapshot
Categorical QSAR models for skin sensitization based on local lymph node assay measures and both ground and excited state 4D-fingerprint descriptors
inferred← citeshttps://doi.org/10.1007/s10822-011-9511-4openalex-snapshot
The great descriptor melting pot: mixing descriptors for the common good of QSAR models
inferred← citeshttps://doi.org/10.1007/s10822-013-9637-7openalex-snapshot
QSAR model based on weighted MCS trees approach for the representation of molecule data sets
inferred← citeshttps://doi.org/10.1007/s11030-022-10489-3openalex-snapshot
Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system
inferred← citeshttps://doi.org/10.1016/b978-0-443-36474-7.00006-5openalex-snapshot
Application of artificial intelligence/machine learning in modeling chemical toxicity and ecotoxicity
inferred← citeshttps://doi.org/10.1016/j.aichem.2023.100006openalex-snapshot
ML meets MLn: Machine learning in ligand promoted homogeneous catalysis
inferred← citeshttps://doi.org/10.1016/j.chempr.2020.02.017openalex-snapshot
A Structure-Based Platform for Predicting Chemical Reactivity
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2018.07.003openalex-snapshot
Molecular docking and 4D-QSAR studies of metastatic cancer inhibitor thiazoles
inferred← citeshttps://doi.org/10.1016/j.drudis.2006.03.014openalex-snapshot
Computational modeling of biologically active molecules using NMR spectra
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2020.101583openalex-snapshot
Investigation of inhibitory activity of monoamine oxidase A with 4D-QSAR using Fukui indices identifier
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2010.10.016openalex-snapshot
Multimedia environmental chemical partitioning from molecular information
inferred← citeshttps://doi.org/10.1016/j.taap.2015.07.008openalex-snapshot
Exploring possible mechanisms of action for the nanotoxicity and protein binding of decorated nanotubes: interpretation of physicochemical properties from optimal QSAR models
inferred← citeshttps://doi.org/10.1017/cbo9780511989421.006openalex-snapshot
Computational phenotypic assessment of small molecules in drug discovery
inferred← citeshttps://doi.org/10.1021/acs.accounts.0c00770openalex-snapshot
Predicting Reaction Yields via Supervised Learning
inferred← citeshttps://doi.org/10.1021/acs.accounts.0c00826openalex-snapshot
Dreams, False Starts, Dead Ends, and Redemption: A Chronicle of the Evolution of a Chemoinformatic Workflow for the Optimization of Enantioselective Catalysts
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.5c00033openalex-snapshot
Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World
inferred← citeshttps://doi.org/10.1021/bk-2016-1222.ch014openalex-snapshot
Steps Toward a Virtual Rat: Predictive Absorption, Distribution, Metabolism, and Toxicity Models
inferred← citeshttps://doi.org/10.1021/ci100081jopenalex-snapshot
In Silico Binary Classification QSAR Models Based on 4D-Fingerprints and MOE Descriptors for Prediction of hERG Blockage
inferred← citeshttps://doi.org/10.1021/ci4000536openalex-snapshot
Oversampling to Overcome Overfitting: Exploring the Relationship between Data Set Composition, Molecular Descriptors, and Predictive Modeling Methods
inferred← citeshttps://doi.org/10.1021/ci500075qopenalex-snapshot
Beyond the Scope of Free-Wilson Analysis. 2: Can Distance Encoded R-Group Fingerprints Provide Interpretable Nonlinear Models?
inferred← citeshttps://doi.org/10.1021/ci5003872openalex-snapshot
Application of the 4D Fingerprint Method with a Robust Scoring Function for Scaffold-Hopping and Drug Repurposing Strategies
inferred← citeshttps://doi.org/10.1021/ci5006367openalex-snapshot
CoRILISA: A Local Similarity Based Receptor Dependent QSAR Method
inferred← citeshttps://doi.org/10.1021/ci6005646openalex-snapshot
Generating Conformer Ensembles Using a Multiobjective Genetic Algorithm
inferred← citeshttps://doi.org/10.1021/ci700051eopenalex-snapshot
QSAR Analyses of Skin Penetration Enhancers
inferred← citeshttps://doi.org/10.1021/ci700350nopenalex-snapshot
How To Winnow Actives from Inactives: Introducing Molecular Orthogonal Sparse Bigrams (MOSBs) and Multiclass Winnow
inferred← citeshttps://doi.org/10.1021/ci700359jopenalex-snapshot
Flexophore, a New Versatile 3D Pharmacophore Descriptor That Considers Molecular Flexibility
inferred← citeshttps://doi.org/10.1021/ci800079xopenalex-snapshot
Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics
inferred← citeshttps://doi.org/10.1021/ci8003418openalex-snapshot
Bioisosteric Similarity of Molecules Based on Structural Alignment and Observed Chemical Replacements in Drugs
inferred← citeshttps://doi.org/10.1021/ci9002427openalex-snapshot
3D Pharmacophore Mapping Using 4D QSAR Analysis for the Cytotoxicity of Lamellarins Against Human Hormone-Dependent T47D Breast Cancer Cells
inferred← citeshttps://doi.org/10.1021/jacs.1c12203openalex-snapshot
Using Data Science To Guide Aryl Bromide Substrate Scope Analysis in a Ni/Photoredox-Catalyzed Cross-Coupling with Acetals as Alcohol-Derived Radical Sources
inferred← citeshttps://doi.org/10.1021/tx200099jopenalex-snapshot
A Comprehensive Support Vector Machine Binary hERG Classification Model Based on Extensive but Biased End Point hERG Data Sets
inferred← citeshttps://doi.org/10.1021/tx6002535openalex-snapshot
4D-Fingerprint Categorical QSAR Models for Skin Sensitization Based on the Classification of Local Lymph Node Assay Measures
inferred← citeshttps://doi.org/10.1038/s41598-017-06625-xopenalex-snapshot
A receptor dependent-4D QSAR approach to predict the activity of mutated enzymes
inferred← citeshttps://doi.org/10.1080/10408340600969601openalex-snapshot
Molecular Chemometrics
inferred← citeshttps://doi.org/10.1080/10629360903438370openalex-snapshot
QNA-based ‘Star Track’ QSAR approach
inferred← citeshttps://doi.org/10.1080/17460441.2019.1613368openalex-snapshot
Quantitative structure–activity relationship models for compounds with anticonvulsant activity
inferred← citeshttps://doi.org/10.1088/2632-2153/acefa7openalex-snapshot
Molecular machine learning with conformer ensembles
inferred← citeshttps://doi.org/10.1093/bib/bbaa160openalex-snapshot
Current development of integrated web servers for preclinical safety and pharmacokinetics assessments in drug development
inferred← citeshttps://doi.org/10.1093/toxsci/kfm185openalex-snapshot
Categorical QSAR Models for Skin Sensitization based upon Local Lymph Node Assay Classification Measures Part 2: 4D-Fingerprint Three-State and Two-2-State Logistic Regression Models
inferred← citeshttps://doi.org/10.1126/science.aau5631openalex-snapshot
Prediction of higher-selectivity catalysts by computer-driven workflow and machine learning
inferred← citeshttps://doi.org/10.1155/2016/9198582openalex-snapshot
Quantitative Structure-Activity Relationship Studies for Potential Rho-Associated Protein Kinase Inhibitors
inferred← citeshttps://doi.org/10.1186/1758-2946-3-23openalex-snapshot
4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening
inferred← citeshttps://doi.org/10.1186/s13321-019-0334-yopenalex-snapshot
Avoiding hERG-liability in drug design via synergetic combinations of different (Q)SAR methodologies and data sources: a case study in an industrial setting
inferred← citeshttps://doi.org/10.1186/s13321-020-0408-xopenalex-snapshot
Towards reproducible computational drug discovery
inferred← citeshttps://doi.org/10.1517/17425255.2012.711317openalex-snapshot
Strategies for the generation, validation and application ofin silicoADMET models in lead generation and optimization
inferred← citeshttps://doi.org/10.2174/138945013804806460openalex-snapshot
Human Ether-a-Go-Go-Related Gene Channel Blockers and its Structural Analysis for Drug Design
inferred← citeshttps://doi.org/10.2174/13895575113136660104openalex-snapshot
Recent Advances in Multidimensional QSAR (4D-6D): A Critical Review
inferred← citeshttps://doi.org/10.22215/etd/2024-16292openalex-snapshot
Application of Machine Learning and Deep Learning Approaches Cheminformatic for Drug Discovery
inferred← citeshttps://doi.org/10.3233/ifs-2006-00296openalex-snapshot
Optimization study with ligand-design interval rules
inferred← citeshttps://doi.org/10.32571/ijct.338920openalex-snapshot
4D-QSAR study of flavonoid derivatives with MCET method
inferred← citeshttps://doi.org/10.3389/fphar.2020.606668openalex-snapshot
Improvement of Prediction Performance With Conjoint Molecular Fingerprint in Deep Learning
inferred← citeshttps://doi.org/10.3390/cimb44110382openalex-snapshot
MIFNN: Molecular Information Feature Extraction and Fusion Deep Neural Network for Screening Potential Drugs
inferred← citeshttps://doi.org/10.3390/molecules15053281openalex-snapshot
4D-QSAR: Perspectives in Drug Design
inferred← citeshttps://doi.org/10.4018/ijqspr.2017070101openalex-snapshot
QSPR Models of β-dihydroagarofuran Derivatives
inferred← citeshttps://doi.org/10.5772/29429openalex-snapshot
Towards Understanding Drugs on the Molecular Level to Design Drugs of Desired Profiles
inferred← citeshttps://doi.org/10.59350/aq2m9-t4b62openalex-snapshot
Novel QSAR and QSPR descriptors?
inferred← citeshttps://doi.org/10.59350/tsanv-nyz36openalex-snapshot
Novel QSAR and QSPR descriptors?
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.