On the public citation graph
Lead Hopping Using SVM and 3D Pharmacophore Fingerprints
0 signed · 85 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known work and none has been retracted — and get a dated CiteStamped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/(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/(sici)1521-3773(19991004)38:19<2896::aid-anie2896>3.0.co;2-3openalex-snapshot
Cascade Reactions in Quantitative Solid-State Syntheses
inferredcites →https://doi.org/10.1007/978-1-4757-2440-0openalex-snapshot
The Nature of Statistical Learning Theory
inferredcites →https://doi.org/10.1007/978-94-011-1350-2openalex-snapshot
Molecular Similarity in Drug Design
inferredcites →https://doi.org/10.1016/0169-7439(95)80053-copenalex-snapshot
Three-dimensional Chemical Similarity Searching
inferredcites →https://doi.org/10.1016/s0925-2312(03)00374-6openalex-snapshot
Support vector machine models in drug design: applications to drug transport processes and QSAR using simplex optimisations and variable selection
inferredcites →https://doi.org/10.1016/s1093-3263(02)00204-8openalex-snapshot
Assessing the performance of OMEGA with respect to retrieving bioactive conformations
inferredcites →https://doi.org/10.1016/s1359-6446(00)00015-5openalex-snapshot
High-throughput and virtual screening: core lead discovery technologies move towards integration
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/10.1016/s1359-6446(02)02483-2openalex-snapshot
Structure-based virtual screening: an overview
inferredcites →https://doi.org/10.1016/s1359-6446(97)01099-4openalex-snapshot
Managing the drug discovery/development interface
inferredcites →https://doi.org/10.1016/s1367-5931(00)00217-9openalex-snapshot
High-throughput docking for lead generation
inferredcites →https://doi.org/10.1021/ci00020a039openalex-snapshot
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
inferredcites →https://doi.org/10.1021/ci00023a009openalex-snapshot
Simulation Analysis of Experimental Design Strategies for Screening Random Compounds as Potential New Drugs and Agrochemicals
inferredcites →https://doi.org/10.1021/ci010132ropenalex-snapshot
Reoptimization of MDL Keys for Use in Drug Discovery
inferredcites →https://doi.org/10.1021/ci025595ropenalex-snapshot
Efficient Generation, Storage, and Manipulation of Fully Flexible Pharmacophore Multiplets and Their Use in 3-D Similarity Searching
inferredcites →https://doi.org/10.1021/ci025620topenalex-snapshot
Active Learning with Support Vector Machines in the Drug Discovery Process
inferredcites →https://doi.org/10.1021/ci9501047openalex-snapshot
Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
inferredcites →https://doi.org/10.1021/ci960464+openalex-snapshot
“Shrink-Wrap” Surfaces: A New Method for Incorporating Shape into Pharmacophoric 3D Database Searching
inferredcites →https://doi.org/10.1021/ci970095xopenalex-snapshot
Rational Combinatorial Library Design. 1. Focus-2D: A New Approach to the Design of Targeted Combinatorial Chemical Libraries
inferredcites →https://doi.org/10.1021/jm000003mopenalex-snapshot
Toward General Methods of Targeted Library Design: Topomer Shape Similarity Searching with Diverse Structures as Queries
inferredcites →https://doi.org/10.1021/jm010494qopenalex-snapshot
Evaluation of a Novel Shape-Based Computational Filter for Lead Evolution: Application to Thrombin Inhibitors
inferredcites →https://doi.org/10.1021/jm990159qopenalex-snapshot
Prospective Identification of Biologically Active Structures by Topomer Shape Similarity Searching
inferredcites →https://doi.org/10.1023/a:1008023427310openalex-snapshot
A hybrid approach for addressing ring flexibility in 3D database searching
inferredcites →https://doi.org/10.1038/nrd745openalex-snapshot
Chemical database techniques in drug discovery
inferredcites →https://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferredcites →https://doi.org/10.1080/10629369808039146openalex-snapshot
Addressing the Challenges Posed by Combinatorial Chemistry: 3D Databases, Pharmacophore Recognition and Beyond
inferredcites →https://doi.org/10.1089/10665270260518317openalex-snapshot
Predicting CNS Permeability of Drug Molecules: Comparison of Neural Network and Support Vector Machine Algorithms
inferredcites →https://doi.org/10.1145/130385.130401openalex-snapshot
A training algorithm for optimal margin classifiers
inferredcites →https://doi.org/10.2174/1381612013397843openalex-snapshot
3-D Pharmacophores in Drug Discovery
inferredcites →https://doi.org/10.48550/arxiv.cmp-lg/9602004openalex-snapshot
Assessing agreement on classification tasks: the kappa statistic
inferredcites →https://doi.org/10.5555/188490.188495openalex-snapshot
A sequential algorithm for training text classifiers
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527623860.ch14openalex-snapshot
Calculated Molecular Properties and Multivariate Statistical Analysis
inferred← citeshttps://doi.org/10.1002/aris.2009.1440430108openalex-snapshot
Similarity methods in chemoinformatics
inferred← citeshttps://doi.org/10.1002/chin.200539209openalex-snapshot
Lead Hopping Using SVM and 3D Pharmacophore Fingerprints.
inferred← citeshttps://doi.org/10.1007/978-1-4419-6045-0_19openalex-snapshot
Trends in Chemical Graph Data Mining
inferred← citeshttps://doi.org/10.1007/978-1-4939-7465-8_11openalex-snapshot
Methods for Virtual Screening of GPCR Targets: Approaches and Challenges
inferred← citeshttps://doi.org/10.1007/s10822-006-9096-5openalex-snapshot
Evaluation of machine-learning methods for ligand-based virtual screening
inferred← citeshttps://doi.org/10.1007/s10822-007-9164-5openalex-snapshot
LASSO—ligand activity by surface similarity order: a new tool for ligand based virtual screening
inferred← citeshttps://doi.org/10.1007/s10822-022-00442-9openalex-snapshot
Evolution of Support Vector Machine and Regression Modeling in Chemoinformatics and Drug Discovery
inferred← citeshttps://doi.org/10.1007/s10910-009-9540-6openalex-snapshot
Monte Carlo method for identification of outlier molecules in QSAR studies
inferred← citeshttps://doi.org/10.1007/s10910-019-01036-xopenalex-snapshot
Novel criteria for elimination of the outliers in QSPR studies, when the ‘forward stepwise’ procedure is used
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00270-4openalex-snapshot
Seven Transmembrane G Protein-Coupled Receptors: Insights for Drug Design from Structure and Modeling
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12345-5openalex-snapshot
Chemical Data Formats, Fingerprints, and Other Molecular Descriptions for Database Analysis and Searching
inferred← citeshttps://doi.org/10.1016/c2014-1-02188-6openalex-snapshot
Comprehensive Medicinal Chemistry III
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.11.004openalex-snapshot
QSAR studies of sulfamate and sulfamide inhibitors targeting human carbonic anhydrase isozymes I, II, IX and XII
inferred← citeshttps://doi.org/10.1016/j.chemolab.2006.11.004openalex-snapshot
Quantitative structure–activity relationship study of acyl ureas as inhibitors of human liver glycogen phosphorylase using least squares support vector machines
inferred← citeshttps://doi.org/10.1016/j.curpro.2025.100015openalex-snapshot
Advances in machine learning for optimizing pharmaceutical drug discovery
inferred← citeshttps://doi.org/10.1016/j.drudis.2007.01.011openalex-snapshot
Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
inferred← citeshttps://doi.org/10.1016/j.drudis.2022.02.023openalex-snapshot
Compound–protein interaction prediction by deep learning: Databases, descriptors and models
inferred← citeshttps://doi.org/10.1016/j.drudis.2022.05.009openalex-snapshot
Data considerations for predictive modeling applied to the discovery of bioactive natural products
inferred← citeshttps://doi.org/10.1016/j.jmgm.2008.04.005openalex-snapshot
Prediction of bond dissociation enthalpy of antioxidant phenols by support vector machine
inferred← citeshttps://doi.org/10.1016/j.jmgm.2011.10.002openalex-snapshot
Enrichment of virtual hits by progressive shape-matching and docking
inferred← citeshttps://doi.org/10.1016/s1359-6446(05)03703-7openalex-snapshot
Computational chemistry-driven decision making in lead generation
inferred← citeshttps://doi.org/10.1016/s1574-1400(06)02008-1openalex-snapshot
Chapter 8 Machine Learning in Computational Chemistry
inferred← citeshttps://doi.org/10.1016/s1574-1400(06)02009-3openalex-snapshot
Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR
inferred← citeshttps://doi.org/10.1021/acs.analchem.0c04151openalex-snapshot
How Can Chemometrics Support the Development of Point of Need Devices?
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00572openalex-snapshot
Deep Generation Model Guided by the Docking Score for Active Molecular Design
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00069openalex-snapshot
RISC: Rapid Inverted-Index Based Search of Chemical Fingerprints
inferred← citeshttps://doi.org/10.1021/ci0496144openalex-snapshot
Analysis of Data Fusion Methods in Virtual Screening: Similarity and Group Fusion
inferred← citeshttps://doi.org/10.1021/ci060138mopenalex-snapshot
The Pharmacophore Kernel for Virtual Screening with Support Vector Machines
inferred← citeshttps://doi.org/10.1021/ci100503yopenalex-snapshot
Novel Method for Pharmacophore Analysis by Examining the Joint Pharmacophore Space
inferred← citeshttps://doi.org/10.1021/ci200617dopenalex-snapshot
Ligand-Based Virtual Screening Approach Using a New Scoring Function
inferred← citeshttps://doi.org/10.1021/ci400219zopenalex-snapshot
Predicting Drug–Target Interactions Using Probabilistic Matrix Factorization
inferred← citeshttps://doi.org/10.1021/ci700369eopenalex-snapshot
Indirect Similarity Based Methods for Effective Scaffold-Hopping in Chemical Compounds
inferred← citeshttps://doi.org/10.1021/ci8000502openalex-snapshot
Evolving Interpretable Structure−Activity Relationships. 1. Reduced Graph Queries
inferred← citeshttps://doi.org/10.1021/ci800051hopenalex-snapshot
Evolving Interpretable Structure−Activity Relationship Models. 2. Using Multiobjective Optimization To Derive Multiple Models
inferred← citeshttps://doi.org/10.1021/ci9000376openalex-snapshot
Target Fishing for Chemical Compounds Using Target-Ligand Activity Data and Ranking Based Methods
inferred← citeshttps://doi.org/10.1038/s41467-021-23443-yopenalex-snapshot
Exploring protein hotspots by optimized fragment pharmacophores
inferred← citeshttps://doi.org/10.1039/9781847558879-00120openalex-snapshot
Molecular Similarity Analysis in Virtual Screening
inferred← citeshttps://doi.org/10.1080/07391102.2022.2117738openalex-snapshot
Machine learning-based predictive modeling, virtual screening and biological evaluation studies for identification of potential inhibitors of MMP-13
inferred← citeshttps://doi.org/10.1080/10629360902724127openalex-snapshot
A modified uncorrelated linear discriminant analysis model coupled with recursive feature elimination for the prediction of bioactivity
inferred← citeshttps://doi.org/10.1080/13547500802012858openalex-snapshot
Metabonomics in cancer diagnosis: mass spectrometry-based profiling of urinary nucleosides from breast cancer patients
inferred← citeshttps://doi.org/10.1093/bib/bbp023openalex-snapshot
Recent advances in computer-aided drug design
inferred← citeshttps://doi.org/10.1109/icdm.2006.39openalex-snapshot
Comparison of Descriptor Spaces for Chemical Compound Retrieval and Classification
inferred← citeshttps://doi.org/10.1142/9781860948732_0041openalex-snapshot
METHODS FOR EFFECTIVE VIRTUAL SCREENING AND SCAFFOLD-HOPPING IN CHEMICAL COMPOUNDS
inferred← citeshttps://doi.org/10.1186/1758-2946-1-14openalex-snapshot
Optimal assignment methods for ligand-based virtual screening
inferred← citeshttps://doi.org/10.1186/s13321-018-0268-9openalex-snapshot
Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening
inferred← citeshttps://doi.org/10.1371/journal.pone.0128696openalex-snapshot
The Use of Chemical-Chemical Interaction and Chemical Structure to Identify New Candidate Chemicals Related to Lung Cancer
inferred← citeshttps://doi.org/10.1517/17460441.2014.866943openalex-snapshot
Support vector machines for drug discovery
inferred← citeshttps://doi.org/10.17863/cam.16274openalex-snapshot
Molecular Similarity and Xenobiotic Metabolism
inferred← citeshttps://doi.org/10.2174/138620709788167926openalex-snapshot
Virtual Screening with Support Vector Machines and Structure Kernels
inferred← citeshttps://doi.org/10.2174/1386207318666141229125155openalex-snapshot
New Horizons in Antimalarial Drug Discovery in the Last Decade by Chemoinformatic Approaches
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.