On the public citation graph

PowerMV: A Software Environment for Molecular Viewing, Descriptor Generation, Data Analysis and Hit Evaluation

https://doi.org/10.1021/ci049847v
0 signed · 125 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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/10.1002/9783527613106openalex-snapshot
Handbook of Molecular Descriptors
inferredcites →https://doi.org/10.1007/978-1-4020-6291-9openalex-snapshot
An Introduction To Chemoinformatics
inferredcites →https://doi.org/10.1016/j.chembiol.2003.08.009openalex-snapshot
Biological Mechanism Profiling Using an Annotated Compound Library
inferredcites →https://doi.org/10.1016/s1093-3263(99)00026-1openalex-snapshot
VisualiSAR: a Web-based application for clustering, structure browsing, and structure–activity relationship study
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/ci00063a011openalex-snapshot
Molecular identification number for substructure searches
inferredcites →https://doi.org/10.1021/ci034032sopenalex-snapshot
Predictive Toxicology: Benchmarking Molecular Descriptors and Statistical Methods
inferredcites →https://doi.org/10.1021/ci034067sopenalex-snapshot
HAD: An Automated Database Tool for Analyzing Screening Hits in Drug Discovery
inferredcites →https://doi.org/10.1021/ci049869hopenalex-snapshot
Effect of Molecular Descriptor Feature Selection in Support Vector Machine Classification of Pharmacokinetic and Toxicological Properties of Chemical Agents
inferredcites →https://doi.org/10.1021/ci980137xopenalex-snapshot
Metric Validation and the Receptor-Relevant Subspace Concept
inferredcites →https://doi.org/10.1021/ci9903049openalex-snapshot
Analysis of a Large Structure/Biological Activity Data Set Using Recursive Partitioning
inferredcites →https://doi.org/10.1021/jm000942eopenalex-snapshot
Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
inferredcites →https://doi.org/10.1023/a:1008763405023openalex-snapshot
Calculating partition coefficient by atom-additive method
inferredcites →https://doi.org/10.1038/35038557openalex-snapshot
Chemical genetics: ligand-based discovery of gene function
inferredcites →https://doi.org/10.1038/nrg1317openalex-snapshot
Chemogenomics: an emerging strategy for rapid target and drug discovery
inferredcites →https://doi.org/10.1126/science.287.5460.1960openalex-snapshot
Drug Discovery: A Historical Perspective
inferredcites →https://doi.org/10.5860/choice.41-5919openalex-snapshot
An introduction to chemoinformatics

What points at this work

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

inferred← citeshttps://doi.org/10.2139/ssrn.4822825openalex-extracted
Machine Learning, Molecular Docking and Simulation Studies Reveal Lomitapide, Lodipamide, Zafirlukast and Netupitant as Potent Drug Molecules Against Chagas Disease
inferred← citeshttps://doi.org/10.1002/cem.1375openalex-snapshot
Feature importance sampling‐based adaptive random forest as a useful tool to screen underlying lead compounds
inferred← citeshttps://doi.org/10.1002/chin.200524210openalex-snapshot
PowerMV: A Software Environment for Molecular Viewing, Descriptor Generation, Data Analysis and Hit Evaluation.
inferred← citeshttps://doi.org/10.1002/ddr.20404openalex-snapshot
Molecular similarity and diversity approaches in chemoinformatics
inferred← citeshttps://doi.org/10.1002/minf.201200031openalex-snapshot
Chemical Descriptors Are More Important Than Learning Algorithms for Modelling
inferred← citeshttps://doi.org/10.1002/minf.201400086openalex-snapshot
Multi‐Server Approach for High‐Throughput Molecular Descriptors Calculation based on Multi‐Linear Algebraic Maps
inferred← citeshttps://doi.org/10.1002/minf.201400139openalex-snapshot
Cheminformatics Based Machine Learning Models for AMA1‐RON2 Abrogators for Inhibiting Plasmodium falciparum Erythrocyte Invasion
inferred← citeshttps://doi.org/10.1007/978-1-4419-0197-2_2openalex-snapshot
(Q)SAR Models for Genotoxicity Assessment
inferred← citeshttps://doi.org/10.1007/978-1-4939-6563-2_11openalex-snapshot
Machine Learning Approaches Toward Building Predictive Models for Small Molecule Modulators of miRNA and Its Utility in Virtual Screening of Molecular Databases
inferred← citeshttps://doi.org/10.1007/978-1-4939-7899-1_16openalex-snapshot
Computational Approaches in Multitarget Drug Discovery
inferred← citeshttps://doi.org/10.1007/978-3-030-41862-5_131openalex-snapshot
Virtual Screening of Anticancer Drugs Using Deep Learning
inferred← citeshttps://doi.org/10.1007/978-3-319-01778-5_27openalex-snapshot
Mutagenicity Analysis Based on Rough Set Theory and Formal Concept Analysis
inferred← citeshttps://doi.org/10.1007/978-3-642-04031-3_29openalex-snapshot
Drugs and Drug-Like Compounds: Discriminating Approved Pharmaceuticals from Screening-Library Compounds
inferred← citeshttps://doi.org/10.1007/978-81-322-1780-0_2openalex-snapshot
Chemoinformatics Approach for the Design and Screening of Focused Virtual Libraries
inferred← citeshttps://doi.org/10.1007/978-981-10-5187-6_9openalex-snapshot
Cheminformatics Approaches in Modern Drug Discovery
inferred← citeshttps://doi.org/10.1007/978-981-13-1562-6_16openalex-snapshot
Machine Learning: What, Why, and How?
inferred← citeshttps://doi.org/10.1007/978-981-95-1069-6_22openalex-snapshot
Development of Transfer Learning–Based Molecular Image Classification Models for Predicting Cardiotoxicity
inferred← citeshttps://doi.org/10.1007/978-981-95-6013-4_27openalex-snapshot
Development of Convolutional Neural Network-Based Quantitative Structure–Activity Relationship Model of Imidazolopiperazines to Identify Drug Candidates Against Malaria
inferred← citeshttps://doi.org/10.1007/s00894-016-2957-5openalex-snapshot
KRAKENX: software for the generation of alignment-independent 3D descriptors
inferred← citeshttps://doi.org/10.1007/s10096-005-0004-zopenalex-snapshot
Treatment of severe acute respiratory syndrome
inferred← citeshttps://doi.org/10.1007/s10732-010-9145-zopenalex-snapshot
Optimal row and column ordering to improve table interpretation using estimation of distribution algorithms
inferred← citeshttps://doi.org/10.1007/s10822-005-9011-5openalex-snapshot
Secure analysis of distributed chemical databases without data integration
inferred← citeshttps://doi.org/10.1007/s10822-014-9827-yopenalex-snapshot
A comparative study of family-specific protein–ligand complex affinity prediction based on random forest approach
inferred← citeshttps://doi.org/10.1007/s10930-021-10030-9openalex-snapshot
Ligand Based Virtual Screening Using Self-organizing Maps
inferred← citeshttps://doi.org/10.1007/s11030-019-10002-3openalex-snapshot
When global and local molecular descriptors are more than the sum of its parts: Simple, But Not Simpler?
inferred← citeshttps://doi.org/10.1007/s11693-015-9162-1openalex-snapshot
Cheminformatics models based on machine learning approaches for design of USP1/UAF1 abrogators as anticancer agents
inferred← citeshttps://doi.org/10.1007/s12539-014-0212-2openalex-snapshot
Computational analysis and In-silico predictive modeling for inhibitors of PhoP regulon in S. typhi on high-throughput screening bioassay dataset
inferred← citeshttps://doi.org/10.1007/s12539-015-0273-xopenalex-snapshot
Computational Analysis and In silico Predictive Modeling for Inhibitors of PhoP Regulon in S. typhi on High-Throughput Screening Bioassay Dataset
inferred← citeshttps://doi.org/10.1007/s40203-017-0029-xopenalex-snapshot
Exploration of 3,6-dihydroimidazo(4,5-d)pyrrolo(2,3-b)pyridin-2(1H)-one derivatives as JAK inhibitors using various in silico techniques
inferred← citeshttps://doi.org/10.1007/s40242-019-9183-5openalex-snapshot
A Strategy to Find Novel Candidate DKAs Inhibitors Using Modified QSAR Model with Favorable Druggability Properties
inferred← citeshttps://doi.org/10.1016/b978-0-12-816189-0.00005-6openalex-snapshot
Health effects of pharmaceuticals and personal care products
inferred← citeshttps://doi.org/10.1016/b978-0-323-98367-9.00012-3openalex-snapshot
In silico methods for the prediction of drug toxicity
inferred← citeshttps://doi.org/10.1016/j.bmc.2008.07.067openalex-snapshot
New QSPR study for the prediction of aqueous solubility of drug-like compounds
inferred← citeshttps://doi.org/10.1016/j.chemolab.2016.02.009openalex-snapshot
Performance of knowledge-based biological models in higher dimensional chemical space
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2017.07.005openalex-snapshot
Virtual screening and repositioning of inconclusive molecules of beta-lactamase Bioassays—A data mining approach
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2018.10.002openalex-snapshot
QSAR classification-based virtual screening followed by molecular docking studies for identification of potential inhibitors of 5-lipoxygenase
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2019.107143openalex-snapshot
Ligand based virtual screening using SVM on GPU
inferred← citeshttps://doi.org/10.1016/j.compbiomed.2021.104317openalex-snapshot
Deep learning model for virtual screening of novel 3C-like protease enzyme inhibitors against SARS coronavirus diseases
inferred← citeshttps://doi.org/10.1016/j.csbj.2023.05.022openalex-snapshot
An overview of descriptors to capture protein properties – Tools and perspectives in the context of QSAR modeling
inferred← citeshttps://doi.org/10.1016/j.drudis.2006.06.006openalex-snapshot
Methods for mining HTS data
inferred← citeshttps://doi.org/10.1016/j.ejmech.2010.11.005openalex-snapshot
Prediction of drug intestinal absorption by new linear and non-linear QSPR
inferred← citeshttps://doi.org/10.1016/j.eswa.2009.05.088openalex-snapshot
Multidimensional statistical analysis of the parameterization of a genetic algorithm for the optimal ordering of tables
inferred← citeshttps://doi.org/10.1016/j.fshw.2019.02.001openalex-snapshot
QSAR modeling of benzoquinone derivatives as 5-lipoxygenase inhibitors
inferred← citeshttps://doi.org/10.1016/j.neo.2015.08.009openalex-snapshot
Identification of a Selective G1-Phase Benzimidazolone Inhibitor by a Senescence-Targeted Virtual Screen Using Artificial Neural Networks
inferred← citeshttps://doi.org/10.1017/s0031182013001571openalex-snapshot
Novel inhibitors of the Plasmodium falciparum electron transport chain
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.9b00227openalex-snapshot
An Overview of Machine Learning and Big Data for Drug Toxicity Evaluation
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00663openalex-snapshot
Exploiting Multiple Descriptor Sets in QSAR Studies
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b01718openalex-snapshot
Rational Design, Synthesis, and Biological Evaluation of Heterocyclic Quinolones Targeting the Respiratory Chain of Mycobacterium tuberculosis
inferred← citeshttps://doi.org/10.1021/ci900080fopenalex-snapshot
A Model-Based Ensembling Approach for Developing QSARs
inferred← citeshttps://doi.org/10.1021/ci900512gopenalex-snapshot
Design and Evaluation of Bonded Atom Pair Descriptors
inferred← citeshttps://doi.org/10.1021/jm201179hopenalex-snapshot
Identification, Design and Biological Evaluation of Bisaryl Quinolones Targeting Plasmodium falciparum Type II NADH:Quinone Oxidoreductase (PfNDH2)
inferred← citeshttps://doi.org/10.1021/jm201184hopenalex-snapshot
Identification, Design and Biological Evaluation of Heterocyclic Quinolones Targeting Plasmodium falciparum Type II NADH:Quinone Oxidoreductase (PfNDH2)
inferred← citeshttps://doi.org/10.1021/jm3001482openalex-snapshot
Identification of Novel Antimalarial Chemotypes via Chemoinformatic Compound Selection Methods for a High-Throughput Screening Program against the Novel Malarial Target, PfNDH2: Increasing Hit Rate via Virtual Screening Methods
inferred← citeshttps://doi.org/10.1021/np500233topenalex-snapshot
Bioactive Constituents of Cirsium japonicum var. australe
inferred← citeshttps://doi.org/10.1038/npre.2011.6116openalex-snapshot
In-silico Predictive Mutagenicity Model Generation Using Supervised Learning Approaches
inferred← citeshttps://doi.org/10.1039/c8ay02720jopenalex-snapshot
Quantitative structure–activity relationship (QSAR) study of carcinogenicity of polycyclic aromatic hydrocarbons (PAHs) in atmospheric particulate matter by random forest (RF)
inferred← citeshttps://doi.org/10.1039/d0ee02838jopenalex-snapshot
Machine learning for high performance organic solar cells: current scenario and future prospects
inferred← citeshttps://doi.org/10.1073/pnas.1205651109openalex-snapshot
Generation of quinolone antimalarials targeting the Plasmodium falciparum mitochondrial respiratory chain for the treatment and prophylaxis of malaria
inferred← citeshttps://doi.org/10.1080/00401706.2012.760489openalex-snapshot
Analysis of High-Dimensional Structure-Activity Screening Datasets Using the Optimal Bit String Tree
inferred← citeshttps://doi.org/10.1101/2024.08.06.606752openalex-snapshot
Machine learning, molecular docking and simulation studies reveal Lomitapide, Lodipamide, Zafirlukast, Netupitant and Salmon Calcitonin as potent drug molecules against Chagas disease
inferred← citeshttps://doi.org/10.1109/smc.2013.451openalex-snapshot
An Empirical Investigation of Virtual Screening
inferred← citeshttps://doi.org/10.1111/cbdd.12131openalex-snapshot
N ‐[9‐(ortho‐Fluorobenzyl)‐2‐Phenyl‐8‐Azapurin‐6‐yl]‐Amides as Potent and Selective Ligands for A 1 Adenosine Receptors
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2006.00397.xopenalex-snapshot
Hierarchical Strategy for Identifying Active Chemotype Classes in Compound Databases
inferred← citeshttps://doi.org/10.1145/3416921.3416931openalex-snapshot
Utilizing cost-sensitive machine learning classifiers to identify compounds that inhibit Alzheimer's APP translation
inferred← citeshttps://doi.org/10.1155/2014/957107openalex-snapshot
Cheminformatics Models for Inhibitors ofSchistosoma mansoniThioredoxin Glutathione Reductase
inferred← citeshttps://doi.org/10.1186/1471-2105-12-492openalex-snapshot
Structural Measures for Network Biology Using QuACN
inferred← citeshttps://doi.org/10.1186/1471-2105-14-329openalex-snapshot
Cheminformatic models based on machine learning for pyruvate kinase inhibitors of Leishmania mexicana
inferred← citeshttps://doi.org/10.1186/1471-2105-14-55openalex-snapshot
Predictive modeling of anti-malarial molecules inhibiting apicoplast formation
inferred← citeshttps://doi.org/10.1186/1471-2210-12-1openalex-snapshot
Computational models for in-vitro anti-tubercular activity of molecules based on high-throughput chemical biology screening datasets
inferred← citeshttps://doi.org/10.1186/1756-0500-4-504openalex-snapshot
Predictive models for anti-tubercular molecules using machine learning on high-throughput biological screening datasets
inferred← citeshttps://doi.org/10.1186/1758-2946-1-21openalex-snapshot
Virtual screening of bioassay data
inferred← citeshttps://doi.org/10.1186/1758-2946-4-16openalex-snapshot
Computational analysis and predictive modeling of small molecule modulators of microRNA
inferred← citeshttps://doi.org/10.1186/s12859-018-2492-8openalex-snapshot
GCAC: galaxy workflow system for predictive model building for virtual screening
inferred← citeshttps://doi.org/10.1186/s12859-020-3474-1openalex-snapshot
ppiGReMLIN: a graph mining based detection of conserved structural arrangements in protein-protein interfaces
inferred← citeshttps://doi.org/10.1186/s13104-018-3535-yopenalex-snapshot
Feature optimization in high dimensional chemical space: statistical and data mining solutions
inferred← citeshttps://doi.org/10.1186/s13321-014-0046-2openalex-snapshot
BioPhytMol: a drug discovery community resource on anti-mycobacterial phytomolecules and plant extracts
inferred← citeshttps://doi.org/10.1186/s13321-016-0124-8openalex-snapshot
GPURFSCREEN: a GPU based virtual screening tool using random forest classifier
inferred← citeshttps://doi.org/10.1186/s13321-017-0211-5openalex-snapshot
QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations
inferred← citeshttps://doi.org/10.1186/s13321-018-0309-4openalex-snapshot
chemmodlab: a cheminformatics modeling laboratory R package for fitting and assessing machine learning models
inferred← citeshttps://doi.org/10.1186/s40580-024-00417-6openalex-snapshot
Materials descriptors of machine learning to boost development of lithium-ion batteries
inferred← citeshttps://doi.org/10.1198/000313005x72171openalex-snapshot
Letters to the Editor
inferred← citeshttps://doi.org/10.1214/14-aoas778openalex-snapshot
Ensembling classification models based on phalanxes of variables with applications in drug discovery
inferred← citeshttps://doi.org/10.1371/journal.pone.0083032openalex-snapshot
Computational Analysis and Predictive Cheminformatics Modeling of Small Molecule Inhibitors of Epigenetic Modifiers
inferred← citeshttps://doi.org/10.1371/journal.pone.0129370openalex-snapshot
Checking the STEP-Associated Trafficking and Internalization of Glutamate Receptors for Reduced Cognitive Deficits: A Machine Learning Approach-Based Cheminformatics Study and Its Application for Drug Repurposing
inferred← citeshttps://doi.org/10.14288/1.0354395openalex-snapshot
Hierarchical clustering of observations and features in high-dimensional data
inferred← citeshttps://doi.org/10.14569/ijacsa.2017.080421openalex-snapshot
An Improved Machine Learning Approach to Enhance the Predictive Accuracy for Screening Potential Active USP1/UAF1 Inhibitors
inferred← citeshttps://doi.org/10.14569/ijacsa.2017.081215openalex-snapshot
Machine Learning based Predictive Model for Screening Mycobacterium Tuberculosis Transcriptional Regulatory Protein Inhibitors from High-Throughput Screening Dataset
inferred← citeshttps://doi.org/10.14569/ijacsa.2018.090235openalex-snapshot
Machine Learning Method To Screen Inhibitors of Virulent Transcription Regulator of Salmonella Typhi
inferred← citeshttps://doi.org/10.1504/ijcbdd.2015.068783openalex-snapshot
In silico prediction of anti-malarial hit molecules based on machine learning methods
inferred← citeshttps://doi.org/10.1504/ijcbdd.2015.072116openalex-snapshot
In-silico study of computational modelling and GLP-1 receptor inverse agonist compounds on a cancer cell line inhibitory bioassay dataset
inferred← citeshttps://doi.org/10.17212/1814-1196-2015-1-148-160openalex-snapshot
A multi-server approach to high-throughput molecular descriptor calculation
inferred← citeshttps://doi.org/10.21203/rs.3.rs-5315945/v1openalex-snapshot
Deep Learning-based Classification Model using SMOTE Resampling Technique to Identify Potent Inhibitors of Lethal Factor of Anthrax and Principal Component, Chemical Space Analysis
inferred← citeshttps://doi.org/10.2174/156802612804910278openalex-snapshot
A Survey of Quantitative Descriptions of Molecular Structure
inferred← citeshttps://doi.org/10.2174/1568026611313100005openalex-snapshot
Open Source Software and Web Services for Designing Therapeutic Molecules
inferred← citeshttps://doi.org/10.2174/1568026620666200128160454openalex-snapshot
Outwitting an Old Neglected Nemesis: A Review on Leveraging Integrated Data-Driven Approaches to Aid in Unraveling of Leishmanicides of Therapeutic Potential
inferred← citeshttps://doi.org/10.2174/9789815136807123010014openalex-snapshot
In silico Approaches to Tyrosine Kinase Inhibitors’ Development
inferred← citeshttps://doi.org/10.21833/ijaas.2019.10.011openalex-snapshot
A supervised classifier based chemoinformatics model to predict inhibitors essential for sexual reproduction and transmission of the P. falciparum parasite into mosquitoes
inferred← citeshttps://doi.org/10.25259/jksus_311_2024openalex-snapshot
Development of convolutional neural network-based QSAR model to predict cardiotoxicity and principal component analysis, fingerprint analysis
inferred← citeshttps://doi.org/10.3233/ci-2008-0016openalex-snapshot
ChemModLab: A Web-Based Cheminformatics Modeling Laboratory
inferred← citeshttps://doi.org/10.3390/ijms10062558openalex-snapshot
QSPR Studies on Aqueous Solubilities of Drug-Like Compounds
inferred← citeshttps://doi.org/10.35537/10915/43315openalex-snapshot
Búsqueda racional de nuevos fármacos antichagásicos inhibidores de la cruzipaína
inferred← citeshttps://doi.org/10.4018/978-1-60960-860-6.ch011openalex-snapshot
Virtual Screening
inferred← citeshttps://doi.org/10.4155/fmc-2018-0560openalex-snapshot
A Genetic Programming-Based Approach to Identify Potential Inhibitors of Serine Protease of Mycobacterium Tuberculosis
inferred← citeshttps://doi.org/10.4155/fmc-2021-0063openalex-snapshot
Development of a Deep Learning-Based Quantitative Structure–Activity Relationship Model to Identify Potential Inhibitors Against the 3C-like Protease of SARS-CoV-2
inferred← citeshttps://doi.org/10.4155/fmc-2021-0290openalex-snapshot
A Hybrid Resampling Algorithms SMOTE and ENN Based Deep Learning Models for Identification of Marburg Virus Inhibitors
inferred← citeshttps://doi.org/10.4155/fmc-2023-0093openalex-snapshot
Convolutional Neural Network-Based Quantitative Structure–Activity Relationship and Fingerprint Analysis Against Inhibitors of Anthrax Lethal Factor
inferred← citeshttps://doi.org/10.6084/m9.figshare.12134262openalex-snapshot
Additional file 1 of ppiGReMLIN: a graph mining based detection of conserved structural arrangements in protein-protein interfaces
inferred← citeshttps://doi.org/10.7717/peerj.476openalex-snapshot
Data-mining of potential antitubercular activities from molecular ingredients of traditional Chinese medicines
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.