On the public citation graph
Generalized Fragment-Substructure Based Property Prediction Method
0 signed · 73 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known work and none has been retracted — and get a dated CiteStamped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/qsar.19930120205openalex-snapshot
The Probability of Chance Correlation Using Partial Least Squares (PLS)
inferredcites →https://doi.org/10.1007/978-94-011-1350-2openalex-snapshot
Molecular Similarity in Drug Design
inferredcites →https://doi.org/10.1016/0097-8485(79)80002-9openalex-snapshot
Search for all self-avoiding paths for molecular graphs
inferredcites →https://doi.org/10.1021/ci00053a005openalex-snapshot
Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions
inferredcites →https://doi.org/10.1021/ci010035yopenalex-snapshot
Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure
inferredcites →https://doi.org/10.1021/ci010315dopenalex-snapshot
Novel Methods for the Prediction of logP, pKa, and logD
inferredcites →https://doi.org/10.1021/ci010363yopenalex-snapshot
Search for Predictive Generic Model of Aqueous Solubility Using Bayesian Neural Nets
inferredcites →https://doi.org/10.1021/ci010381fopenalex-snapshot
Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm
inferredcites →https://doi.org/10.1021/ci0202685openalex-snapshot
High-Throughput, In Silico Prediction of Aqueous Solubility Based on One- and Two-Dimensional Descriptors
inferredcites →https://doi.org/10.1021/ci990131nopenalex-snapshot
QM/NN QSPR Models with Error Estimation: Vapor Pressure and LogP
inferredcites →https://doi.org/10.1021/ci990307lopenalex-snapshot
Prediction of Physicochemical Parameters by Atomic Contributions
inferredcites →https://doi.org/10.1021/ie00029a042openalex-snapshot
Group Contribution Methods for Predicting the Melting Points and Boiling Points of Aromatic Compounds
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/ja01077a028openalex-snapshot
A New Substituent Constant, π, Derived from Partition Coefficients
inferredcites →https://doi.org/10.1021/jp026425kopenalex-snapshot
Oscillatory Packing and Depletion of Polyelectrolyte Molecules at an Oxide−Water Interface
inferredcites →https://doi.org/10.1080/00986448708960487openalex-snapshot
ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS
inferredcites →https://doi.org/10.1145/321921.321922openalex-snapshot
Bounds on the Complexity of the Longest Common Subsequence Problem
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470249055openalex-snapshot
Preclinical Development Handbook
inferred← citeshttps://doi.org/10.1002/9780470571224.pse032openalex-snapshot
Computer Techniques: Identifying Similarities Between Small Molecules
inferred← citeshttps://doi.org/10.1002/chin.200515223openalex-snapshot
Generalized Fragment‐Substructure Based Property Prediction Method.
inferred← citeshttps://doi.org/10.1002/jcc.20816openalex-snapshot
Understanding topological symmetry: A heuristic approach to its determination
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/10.1007/978-3-030-73317-9_111-1openalex-snapshot
Physicochemical Properties of Drugs for Use in the Pharmaceutical Industry
inferred← citeshttps://doi.org/10.1007/978-3-031-35529-5_111openalex-snapshot
Physicochemical Properties of Drugs for Use in the Pharmaceutical Industry
inferred← citeshttps://doi.org/10.1007/s10822-005-9008-0openalex-snapshot
Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures
inferred← citeshttps://doi.org/10.1007/s10910-012-0005-yopenalex-snapshot
A scalable algorithm for molecular property estimation in high dimensional scaffold-based libraries
inferred← citeshttps://doi.org/10.1007/s11030-006-9036-2openalex-snapshot
SVM approach for predicting LogP
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00279-0openalex-snapshot
In Silico Predictions of Solubility
inferred← citeshttps://doi.org/10.1016/j.bmc.2011.08.036openalex-snapshot
Deep understanding of structure–solubility relationship for a diverse set of organic compounds using matched molecular pairs
inferred← citeshttps://doi.org/10.1016/j.chemolab.2018.03.001openalex-snapshot
k-nearest neighbor normalized error for visualization and reconstruction – A new measure for data visualization performance
inferred← citeshttps://doi.org/10.1016/j.chemphyslip.2010.12.009openalex-snapshot
Discrimination between the regioisomeric 1,2- and 1,3-diacylglycerophosphocholines by phospholipases
inferred← citeshttps://doi.org/10.1016/j.ejmech.2010.05.059openalex-snapshot
Prediction of intrinsic solubility of generic drugs using MLR, ANN and SVM analyses
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2012.10.041openalex-snapshot
Aqueous solubility: Simple predictive methods (in silico, in vitro and bio-relevant approaches)
inferred← citeshttps://doi.org/10.1016/j.tetlet.2006.10.159openalex-snapshot
Regioselective synthesis of 2,4,6-triaminopyridines
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00625openalex-snapshot
In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning
inferred← citeshttps://doi.org/10.1021/ci050308fopenalex-snapshot
Development and Evaluation of an in Silico Model for hERG Binding
inferred← citeshttps://doi.org/10.1021/ci050338iopenalex-snapshot
Exhaustive de novo Design of Low-Molecular-Weight Fragments Against the ATP-Binding Site of DNA-Gyrase
inferred← citeshttps://doi.org/10.1021/ci100364aopenalex-snapshot
Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection
inferred← citeshttps://doi.org/10.1021/ci200179yopenalex-snapshot
Lessons Learned from Molecular Scaffold Analysis
inferred← citeshttps://doi.org/10.1021/ci200472sopenalex-snapshot
Improving Classical Substructure-Based Virtual Screening to Handle Extrapolation Challenges
inferred← citeshttps://doi.org/10.1021/ci300616sopenalex-snapshot
Systematic Identification of Scaffolds Representing Compounds Active against Individual Targets and Single or Multiple Target Families
inferred← citeshttps://doi.org/10.1021/ci4003766openalex-snapshot
Criterion for Evaluating the Predictive Ability of Nonlinear Regression Models without Cross-Validation
inferred← citeshttps://doi.org/10.1021/ci500364eopenalex-snapshot
Applicability Domain Based on Ensemble Learning in Classification and Regression Analyses
inferred← citeshttps://doi.org/10.1021/ci5005288openalex-snapshot
How Accurately Can We Predict the Melting Points of Drug-like Compounds?
inferred← citeshttps://doi.org/10.1021/ci600205gopenalex-snapshot
Accurate Solubility Prediction with Error Bars for Electrolytes: A Machine Learning Approach
inferred← citeshttps://doi.org/10.1021/ci600453bopenalex-snapshot
Prediction of Molecular Solvation Free Energy Based on the Optimization of Atomic Solvation Parameters with Genetic Algorithm
inferred← citeshttps://doi.org/10.1021/ci700245fopenalex-snapshot
Development of a New Regression Analysis Method Using Independent Component Analysis
inferred← citeshttps://doi.org/10.1021/ci700307popenalex-snapshot
Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log P
inferred← citeshttps://doi.org/10.1021/ci800024copenalex-snapshot
Scores of Extended Connectivity Fingerprint as Descriptors in QSPR Study of Melting Point and Aqueous Solubility
inferred← citeshttps://doi.org/10.1021/ci900116qopenalex-snapshot
Fragment-Based Prediction of the Clinical Occurrence of Long QT Syndrome and Torsade de Pointes
inferred← citeshttps://doi.org/10.1021/ci900377eopenalex-snapshot
Insolubility Classification with Accurate Prediction Probabilities Using a MetaClassifier
inferred← citeshttps://doi.org/10.1021/cr0782372openalex-snapshot
Neurobiological Applications of Small Molecule Screening
inferred← citeshttps://doi.org/10.1021/mp0700413openalex-snapshot
Machine Learning Models for Lipophilicity and Their Domain of Applicability
inferred← citeshttps://doi.org/10.1021/mp4001958openalex-snapshot
Aqueous Solubility Prediction: Do Crystal Lattice Interactions Help?
inferred← citeshttps://doi.org/10.1038/s41597-024-03105-6openalex-snapshot
Will we ever be able to accurately predict solubility?
inferred← citeshttps://doi.org/10.1038/sj.bjp.0707307openalex-snapshot
Chemogenomic approaches to rational drug design
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/10.1063/1.2793398openalex-snapshot
Predicting Error Bars for QSAR Models
inferred← citeshttps://doi.org/10.1080/10643389.2014.955627openalex-snapshot
Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review
inferred← citeshttps://doi.org/10.1080/10826070701191052openalex-snapshot
Structure‐Retention Correlation in Liquid Chromatography for Pharmaceutical Applications
inferred← citeshttps://doi.org/10.1093/bioinformatics/btm266openalex-snapshot
Statistical prediction of protein–chemical interactions based on chemical structure and mass spectrometry data
inferred← citeshttps://doi.org/10.1201/b19853-3openalex-snapshot
Software and Web Resources for Computer-Aided Molecular Modeling and Drug Discovery
inferred← citeshttps://doi.org/10.1246/bcsj.80.1504openalex-snapshot
Molecular Descriptors of Topology and a Study on Quantitative Structure and Property Relationships
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1005335openalex-snapshot
Representing high throughput expression profiles via perturbation barcodes reveals compound targets
inferred← citeshttps://doi.org/10.1517/17425255.1.4.613openalex-snapshot
Computational models to predict aqueous drug solubility, permeability and intestinal absorption
inferred← citeshttps://doi.org/10.1517/17460441.1.1.31openalex-snapshot
In silicoprediction of aqueous solubility
inferred← citeshttps://doi.org/10.2174/092986712800167356openalex-snapshot
Privileged Structures - Dream or Reality: Preferential Organization of Azanaphthalene Scaffold
inferred← citeshttps://doi.org/10.2174/156802607782194725openalex-snapshot
Computational Techniques in Fragment Based Drug Discovery
inferred← citeshttps://doi.org/10.2751/jcac.8.41openalex-snapshot
Development of The New Regression Analysis Method Using Independent Component Analysis and Genetic Algorithm
inferred← citeshttps://doi.org/10.4155/fmc.10.277openalex-snapshot
Computational Medicinal Chemistry in Fragment-Based Drug Discovery: What, How and When
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.