On the public citation graph

Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination

0 signed · 112 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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/10.1002/9780470316849openalex-snapshot
Multivariate Density Estimation
inferredcites →https://doi.org/10.1002/qsar.19890080207openalex-snapshot
Comparison of Fragment Weighting Schemes for Substructural Analysis
inferredcites →https://doi.org/10.1002/qsar.19960150103openalex-snapshot
Using Artificial Neural Networks to Predict Biological Activity from Simple Molecular Structural Considerations
inferredcites →https://doi.org/10.1007/978-1-4612-4026-6openalex-snapshot
Smoothing Methods in Statistics
inferredcites →https://doi.org/10.1007/bf00135318openalex-snapshot
A machine learning approach to computer-aided molecular design
inferredcites →https://doi.org/10.1021/ar50020a002openalex-snapshot
Quantitative approach to biochemical structure-activity relationships
inferredcites →https://doi.org/10.1021/ci00046a002openalex-snapshot
Atom pairs as molecular features in structure-activity studies: definition and applications
inferredcites →https://doi.org/10.1021/ci00046a003openalex-snapshot
Computer code for producing Eh-pH plots of equilibrium chemical systems
inferredcites →https://doi.org/10.1021/ci00054a008openalex-snapshot
Topological torsion: a new molecular descriptor for SAR applications. Comparison with other descriptors
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/ci990082eopenalex-snapshot
Nonparametric Regression Applied to Quantitative Structure−Activity Relationships
inferredcites →https://doi.org/10.1021/jm00251a015openalex-snapshot
Preparation and antitumor activity of 4'-thio analogs of 2,2'-anhydro-1-.beta.-D-arabinofuranosylcytosine
inferredcites →https://doi.org/10.1021/jm00334a002openalex-snapshot
The Metabolic Fate of Thiabendazole in Sheep1
inferredcites →https://doi.org/10.1021/jm9706776openalex-snapshot
A Scoring Scheme for Discriminating between Drugs and Nondrugs
inferredcites →https://doi.org/10.1093/biomet/73.2.405openalex-snapshot
An Alternative Choice of Smoothing for Kernel-Based Density Estimates in Discrete Discriminant Analysis

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9780470567623.ch4openalex-snapshot
Data Mining Approaches for Compound Selection and Iterative Screening
inferred← citeshttps://doi.org/10.1002/9780470571224.pse004openalex-snapshot
Molecular Similarity Methods and QSAR Models As Tools for Virtual Screening
inferred← citeshttps://doi.org/10.1002/9780470584170.ch3openalex-snapshot
In SilicoScreening
inferred← citeshttps://doi.org/10.1002/9780470744307.gat222openalex-snapshot
Chemoinformatics and its Applications
inferred← citeshttps://doi.org/10.1002/9781118618110.ch15openalex-snapshot
Virtual Screening Methods
inferred← citeshttps://doi.org/10.1002/9781118742921.ch2.2openalex-snapshot
Combinatorial Chemistry Library Design
inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/9783527655984.ch02openalex-snapshot
Public Domain Databases for Medicinal Chemistry
inferred← citeshttps://doi.org/10.1002/aris.2009.1440430108openalex-snapshot
Similarity methods in chemoinformatics
inferred← citeshttps://doi.org/10.1002/chin.200148231openalex-snapshot
ChemInform Abstract: Prediction of Biological Activity for High‐Throughput Screening Using Binary Kernel Discrimination.
inferred← citeshttps://doi.org/10.1002/jps.20985openalex-snapshot
Machine learning approaches for predicting compounds that interact with therapeutic and ADMET related proteins
inferred← citeshttps://doi.org/10.1002/minf.201200011openalex-snapshot
Probability Based hERG Blocker Classifiers
inferred← citeshttps://doi.org/10.1002/qsar.200330860openalex-snapshot
Status of HTS Data Mining Approaches
inferred← citeshttps://doi.org/10.1002/qsar.200610084openalex-snapshot
Enhancing the Effectiveness of Ligand‐Based Virtual Screening Using Data Fusion
inferred← citeshttps://doi.org/10.1002/qsar.200960062openalex-snapshot
Bayesian Inference Network Significantly Improves the Effectiveness of Similarity Searching Using Multiple 2D Fingerprints and Multiple Reference Structures
inferred← citeshttps://doi.org/10.1002/wcms.1187openalex-snapshot
Modern 2D QSAR for drug discovery
inferred← citeshttps://doi.org/10.1007/978-1-4419-9842-2_8openalex-snapshot
Data Mining and Signal Detection
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/10.1007/978-3-540-72847-4_68openalex-snapshot
Parsimonious Kernel Fisher Discrimination
inferred← citeshttps://doi.org/10.1007/978-981-10-7242-0_22openalex-snapshot
Prediction of New Bioactive Molecules of Chemical Compound Using Boosting Ensemble Methods
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/s10822-023-00505-5openalex-snapshot
TargIDe: a machine-learning workflow for target identification of molecules with antibiofilm activity against Pseudomonas aeruginosa
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00257-1openalex-snapshot
Library Design: Reactant and Product-Based Approaches
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00262-5openalex-snapshot
Virtual Screening
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.02568-3openalex-snapshot
Library Design: Reactant and Product-Based Approaches
inferred← citeshttps://doi.org/10.1016/j.artmed.2011.10.005openalex-snapshot
Prediction of human major histocompatibility complex class II binding peptides by continuous kernel discrimination method
inferred← citeshttps://doi.org/10.1016/j.cbpa.2004.04.005openalex-snapshot
Applying data mining techniques to library design, lead generation and lead optimization
inferred← citeshttps://doi.org/10.1016/j.cels.2023.12.003openalex-snapshot
Meta learning addresses noisy and under-labeled data in machine learning-guided antibody engineering
inferred← citeshttps://doi.org/10.1016/j.drudis.2006.10.005openalex-snapshot
Similarity-based virtual screening using 2D fingerprints
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.jmgm.2007.12.002openalex-snapshot
A support vector machines approach for virtual screening of active compounds of single and multiple mechanisms from large libraries at an improved hit-rate and enrichment factor
inferred← citeshttps://doi.org/10.1016/j.patrec.2015.06.002openalex-snapshot
The Parzen Window method: In terms of two vectors and one matrix
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01075openalex-snapshot
Ranking Molecules with Vanishing Kernels and a Single Parameter: Active Applicability DomainIncluded
inferred← citeshttps://doi.org/10.1021/bk-2019-1326.ch005openalex-snapshot
Using Machine Learning To Inform Decisions in Drug Discovery: An Industry Perspective
inferred← citeshttps://doi.org/10.1021/ci020267copenalex-snapshot
Selecting Screening Candidates for Kinase and G Protein-Coupled Receptor Targets Using Neural Networks
inferred← citeshttps://doi.org/10.1021/ci0203848openalex-snapshot
Recursive Median Partitioning for Virtual Screening of Large Databases
inferred← citeshttps://doi.org/10.1021/ci025586iopenalex-snapshot
Comparison of Ranking Methods for Virtual Screening in Lead-Discovery Programs
inferred← citeshttps://doi.org/10.1021/ci034023jopenalex-snapshot
Use of Recursion Forests in the Sequential Screening Process: Consensus Selection by Multiple Recursion Trees
inferred← citeshttps://doi.org/10.1021/ci034231bopenalex-snapshot
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
inferred← citeshttps://doi.org/10.1021/ci049631topenalex-snapshot
Inhibition of the Tyrosine Kinase, Syk, Analyzed by Stepwise Nonparametric Regression
inferred← citeshttps://doi.org/10.1021/ci049641uopenalex-snapshot
Virtual Screening of Molecular Databases Using a Support Vector Machine
inferred← citeshttps://doi.org/10.1021/ci0498719openalex-snapshot
Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance
inferred← citeshttps://doi.org/10.1021/ci050324copenalex-snapshot
A Knowledge-Based Weighting Approach to Ligand-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci050348jopenalex-snapshot
New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching
inferred← citeshttps://doi.org/10.1021/ci050353nopenalex-snapshot
Generation of a Focused Set of GSK Compounds Biased toward Ligand-Gated Ion-Channel Ligands
inferred← citeshttps://doi.org/10.1021/ci050397wopenalex-snapshot
Virtual Screening Using Binary Kernel Discrimination: Analysis of Pesticide Data
inferred← citeshttps://doi.org/10.1021/ci050529lopenalex-snapshot
Introducing the Consensus Modeling Concept in Genetic Algorithms: Application to Interpretable Discriminant Analysis
inferred← citeshttps://doi.org/10.1021/ci0505426openalex-snapshot
Virtual Screening Using Binary Kernel Discrimination: Effect of Noisy Training Data and the Optimization of Performance
inferred← citeshttps://doi.org/10.1021/ci060083oopenalex-snapshot
Mapping Algorithms for Molecular Similarity Analysis and Ligand-Based Virtual Screening: Design of DynaMAD and Comparison with MAD and DMC
inferred← citeshttps://doi.org/10.1021/ci100022uopenalex-snapshot
Classifying Large Chemical Data Sets: Using A Regularized Potential Function Method
inferred← citeshttps://doi.org/10.1021/ci200128wopenalex-snapshot
Classifying Molecules Using a Sparse Probabilistic Kernel Binary Classifier
inferred← citeshttps://doi.org/10.1021/ci400466ropenalex-snapshot
Heterogeneous Classifier Fusion for Ligand-Based Virtual Screening: Or, How Decision Making by Committee Can Be a Good Thing
inferred← citeshttps://doi.org/10.1021/ci4004909openalex-snapshot
Prediction of New Bioactive Molecules using a Bayesian Belief Network
inferred← citeshttps://doi.org/10.1021/ci600301topenalex-snapshot
Emerging Chemical Patterns: A New Methodology for Molecular Classification and Compound Selection
inferred← citeshttps://doi.org/10.1021/ci700087vopenalex-snapshot
Prediction of Ion Channel Activity Using Binary Kernel Discrimination
inferred← citeshttps://doi.org/10.1021/ci800022eopenalex-snapshot
Evaluation of Virtual Screening Performance of Support Vector Machines Trained by Sparsely Distributed Active Compounds
inferred← citeshttps://doi.org/10.1021/ci900035zopenalex-snapshot
Mining Statistically Significant Molecular Substructures for Efficient Molecular Classification
inferred← citeshttps://doi.org/10.1021/ci9000458openalex-snapshot
FOG: Fragment Optimized Growth Algorithm for the de Novo Generation of Molecules Occupying Druglike Chemical Space
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/jm020155copenalex-snapshot
Do Structurally Similar Molecules Have Similar Biological Activity?
inferred← citeshttps://doi.org/10.1021/jm049611iopenalex-snapshot
Molecular Surface Point Environments for Virtual Screening and the Elucidation of Binding Patterns (MOLPRINT 3D)
inferred← citeshttps://doi.org/10.1021/jm060333sopenalex-snapshot
In Silico Prediction of Cytochrome P450 2D6 and 3A4 Inhibition Using Gaussian Kernel Weightedk-Nearest Neighbor and Extended Connectivity Fingerprints, Including Structural Fragment Analysis of Inhibitors versus Noninhibitors
inferred← citeshttps://doi.org/10.1021/jm300501topenalex-snapshot
Public Domain Databases for Medicinal Chemistry
inferred← citeshttps://doi.org/10.1021/jm301271jopenalex-snapshot
Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening
inferred← citeshttps://doi.org/10.1038/nature03193openalex-snapshot
Navigating chemical space for biology and medicine
inferred← citeshttps://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferred← citeshttps://doi.org/10.1038/s41598-020-78449-1openalex-snapshot
Deep learning model for classification and bioactivity prediction of essential oil-producing plants from Egypt
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/10.1039/9781847558879-00120openalex-snapshot
Molecular Similarity Analysis in Virtual Screening
inferred← citeshttps://doi.org/10.1039/9781847558879-00182openalex-snapshot
Probabilistic Approaches in Activity Prediction
inferred← citeshttps://doi.org/10.1039/b409813gopenalex-snapshot
Molecular similarity: a key technique in molecular informatics
inferred← citeshttps://doi.org/10.1039/b409865jopenalex-snapshot
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
inferred← citeshttps://doi.org/10.1039/c5ra10729fopenalex-snapshot
Multivariate statistical analysis methods in QSAR
inferred← citeshttps://doi.org/10.1042/etls20240005openalex-snapshot
AI in drug design: evolution or revolution?
inferred← citeshttps://doi.org/10.1080/08927020500134177openalex-snapshot
Ligand-based virtual screening using binary kernel discrimination
inferred← citeshttps://doi.org/10.1093/nar/gkl999openalex-snapshot
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
inferred← citeshttps://doi.org/10.1093/nar/gkv1072openalex-snapshot
BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology
inferred← citeshttps://doi.org/10.1109/ijcnn60899.2024.10650746openalex-snapshot
Molecular Classification Using Hyperdimensional Graph Classification
inferred← citeshttps://doi.org/10.11113/jt.v78.9245openalex-snapshot
AN ACTIVITY PREDICTION MODEL USING SHAPE-BASED DESCRIPTOR METHOD
inferred← citeshttps://doi.org/10.1186/1758-2946-1-7openalex-snapshot
Large scale study of multiple-molecule queries
inferred← citeshttps://doi.org/10.1186/1758-2946-4-s1-p40openalex-snapshot
Probabilistic classifier: generated using randomised sub-sampling of the feature space
inferred← citeshttps://doi.org/10.1186/s13321-018-0281-zopenalex-snapshot
Effect of missing data on multitask prediction methods
inferred← citeshttps://doi.org/10.12688/f1000research.11905.1openalex-snapshot
Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria
inferred← citeshttps://doi.org/10.1371/journal.pone.0189538openalex-snapshot
Ensemble learning method for the prediction of new bioactive molecules
inferred← citeshttps://doi.org/10.1517/17460441.2010.497534openalex-snapshot
De novodesign: balancing novelty and confined chemical space
inferred← citeshttps://doi.org/10.1517/17460441.3.9.1011openalex-snapshot
Virtual screening of chemical libraries for drug discovery
inferred← citeshttps://doi.org/10.2174/138620711797537148openalex-snapshot
Integration of Virtual and High Throughput Screening in Lead Discovery Settings
inferred← citeshttps://doi.org/10.2174/156802612805219987openalex-snapshot
Predicting Monoamine Oxidase Inhibitory Activity Through Ligand-Based Models
inferred← citeshttps://doi.org/10.2174/9781608057450113010005openalex-snapshot
Building a Chemical Space Based on Fragment Descriptors
inferred← citeshttps://doi.org/10.3390/molecules21080983openalex-snapshot
Bioactive Molecule Prediction Using Extreme Gradient Boosting
inferred← citeshttps://doi.org/10.4018/978-1-60960-818-7.ch517openalex-snapshot
Application of Machine Leaning in Drug Discovery and Development
inferred← citeshttps://doi.org/10.4018/978-1-61520-911-8.ch010openalex-snapshot
Virtual Screening Methods Based on Bayesian Statistics
inferred← citeshttps://doi.org/10.4018/978-1-61520-911-8.ch012openalex-snapshot
Application of Machine Leaning in Drug Discovery and Development
inferred← citeshttps://doi.org/10.48550/arxiv.1503.01445openalex-snapshot
Toxicity Prediction using Deep Learning
inferred← citeshttps://doi.org/10.48550/arxiv.2006.01171openalex-snapshot
Regression Enrichment Surfaces: a Simple Analysis Technique for Virtual Drug Screening Models
inferred← citeshttps://doi.org/10.5539/jmr.v5n1p22openalex-snapshot
The Aitchison and Aitken Kernel Function Revisited
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.