Automatic construction of molecular similarity networks for visual graph mining in chemical space of bioactive peptides: an unsupervised learning approach

scientific article published on 22 October 2020

Automatic construction of molecular similarity networks for visual graph mining in chemical space of bioactive peptides: an unsupervised learning approach is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1038/S41598-020-75029-1
P932PMC publication ID7583304
P698PubMed publication ID33093586

P50authorYovani Marrero-PonceQ39382967
P2093author name stringCésar R García-Jacas
Carlos A Brizuela
Edgar Chavez
Jesus A Beltran
Hugo A Guillen-Ramirez
Longendri Aguilera-Mendoza
P2860cites workA Mathematical Theory of CommunicationQ724029
Analysis of weighted networks.Q51982172
In Silico Tools and Databases for Designing Peptide-Based Vaccine and Drugs.Q52572530
Molecular similarity in medicinal chemistry.Q54708065
Graph drawing by force-directed placementQ55954181
Generalized procrustes analysisQ56570830
A sharper Bonferroni procedure for multiple tests of significanceQ56622251
A novel variable reduction method adapted from space-filling designsQ56978797
Molecular Descriptors for ChemoinformaticsQ56978888
Optimal selection of molecular descriptors for antimicrobial peptides classification: an evolutionary feature weighting approachQ57151152
Axioms for CentralityQ57309473
Choquet integral-based fuzzy molecular characterizations: when global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs)Q58558662
Theory of capacitiesQ59406345
BioJava 5: A community driven open-source bioinformatics libraryQ64116706
A Comprehensive Review on Current Advances in Peptide Drug Development and Design.Q64993130
Chemical space and biologyQ81153866
Correlation Coefficients: Appropriate Use and InterpretationQ87882653
Recent Advances and Computational Approaches in Peptide Drug DiscoveryQ90211171
GOWAWA Aggregation Operator-based Global Molecular Characterizations: Weighting Atom/bond Contributions (LOVIs/LOEIs) According to their Influence in the Molecular EncodingQ90708085
Toward computer-made artificial antibioticsQ91976855
Computational Design of Biologically Active Anticancer Peptides and Their Interactions with Heterogeneous POPC/POPS Lipid MembranesQ92274699
Graph-based data integration from bioactive peptide databases of pharmaceutical interest: toward an organized collection enabling visual network analysisQ93153834
Modularity and community structure in networksQ24548534
A Comparative Analysis of Community Detection Algorithms on Artificial NetworksQ26779592
Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive reviewQ27008867
Identification of common molecular subsequencesQ27860816
Community detection in networks: A user guideQ28111918
Navigating chemical space for biology and medicineQ28298611
Interactive machine learning for health informatics: when do we need the human-in-the-loop?Q28602093
Knowledge Discovery and interactive Data Mining in Bioinformatics--State-of-the-Art, future challenges and research directionsQ28654387
Fast unfolding of communities in large networksQ29305711
Amino acid difference formula to help explain protein evolutionQ29614440
Exploring chemical space for drug discovery using the chemical universe databaseQ30485721
Design and characterization of chemical space networks for different compound data setsQ30873834
Variability of molecular descriptors in compound databases revealed by Shannon entropy calculationsQ30878467
Finding key members in compound libraries by analyzing networks of molecules assembled by structural similarityQ33514030
Inhibition of Escherichia coli ATP synthase by amphibian antimicrobial peptidesQ33712627
Feature selection based on mutual information: criteria of max-dependency, max-relevance, and min-redundancyQ34445269
ProtDCal: A program to compute general-purpose-numerical descriptors for sequences and 3D-structures of proteinsQ34476736
MosaicFinder: identification of fused gene families in sequence similarity networksQ34568096
ForceAtlas2, a continuous graph layout algorithm for handy network visualization designed for the Gephi software.Q35184651
IMMAN: free software for information theory-based chemometric analysisQ35549047
Progress in visual representations of chemical space.Q35669755
The chemistry and biological activities of peptides from amphibian skin secretionsQ38320713
The Current State of Peptide Drug Discovery: Back to the Future?Q38652744
Therapeutic peptides: Historical perspectives, current development trends, and future directionsQ38655677
Principal component analysis: a review and recent developmentsQ38764960
Chemical space visualization: transforming multidimensional chemical spaces into similarity-based molecular networksQ38826792
Lessons learned from the design of chemical space networks and opportunities for new applicationsQ38899445
The rational design of amino acid sequences by artificial neural networks and simulated molecular evolution: de novo design of an idealized leader peptidase cleavage siteQ39454274
Peptides with antimicrobial and anti-inflammatory activities that have therapeutic potential for treatment of acne vulgarisQ40023939
The ascaphins: a family of antimicrobial peptides from the skin secretions of the most primitive extant frog, Ascaphus truei.Q44787161
Activities of the frog skin peptide, ascaphin-8 and its lysine-substituted analogs against clinical isolates of extended-spectrum beta-lactamase (ESBL) producing bacteriaQ46858701
CompositeSearch: A Generalized Network Approach for Composite Gene Families DetectionQ47577682
iFeature: a python package and web server for features extraction and selection from protein and peptide sequences.Q50419865
Chemical space networks: a powerful new paradigm for the description of chemical space.Q51079623
P433issue1
P921main subjectunsupervised learningQ1152135
P304page(s)18074
P577publication date2020-10-22
P1433published inScientific ReportsQ2261792
P1476titleAutomatic construction of molecular similarity networks for visual graph mining in chemical space of bioactive peptides: an unsupervised learning approach
P478volume10

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