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Do Biologically Relevant Compounds Have More Chance To Be Drugs?
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Estimating the total number of protein folds
inferredcites →https://doi.org/10.1002/1521-3773(20020816)41:16<2878::aid-anie2878>3.0.co;2-bopenalex-snapshot
From Protein Domains to Drug Candidates—Natural Products as Guiding Principles in the Design and Synthesis of Compound Libraries
inferredcites →https://doi.org/10.1002/anie.200462457openalex-snapshot
Virtual Exploration of the Small‐Molecule Chemical Universe below 160 Daltons
inferredcites →https://doi.org/10.1002/prot.10336openalex-snapshot
Monte Carlo estimation of the number of possible protein folds: Effects of sampling bias and folds distributions
inferredcites →https://doi.org/10.1002/prot.10514openalex-snapshot
The number of protein folds and their distribution over families in nature
inferredcites →https://doi.org/10.1002/qsar.19950140602openalex-snapshot
A Fast Algorithm For Selecting Sets Of Dissimilar Molecules From Large Chemical Databases
inferredcites →https://doi.org/10.1007/s11030-006-9054-0openalex-snapshot
Comparing the chemical spaces of metabolites and available chemicals: models of metabolite-likeness
inferredcites →https://doi.org/10.1016/j.cbpa.2004.04.003openalex-snapshot
Pursuing the leadlikeness concept in pharmaceutical research
inferredcites →https://doi.org/10.1016/j.cbpa.2006.06.014openalex-snapshot
A practical view of ‘druggability’
inferredcites →https://doi.org/10.1016/j.cbpa.2007.05.013openalex-snapshot
Exploring biologically relevant chemical space with metal complexes
inferredcites →https://doi.org/10.1016/j.cbpa.2008.03.016openalex-snapshot
The impact of natural products upon modern drug discovery
inferredcites →https://doi.org/10.1016/j.compbiolchem.2004.11.003openalex-snapshot
Assessment of chemical libraries for their druggability
inferredcites →https://doi.org/10.1016/j.drudis.2006.08.001openalex-snapshot
Does structural similarity reflect biological activity?
inferredcites →https://doi.org/10.1016/j.drudis.2006.08.015openalex-snapshot
High-content screening moves to the front of the line
inferredcites →https://doi.org/10.1016/j.drudis.2006.10.004openalex-snapshot
Systems biology, metabolic modelling and metabolomics in drug discovery and development
inferredcites →https://doi.org/10.1016/j.drudis.2006.11.008openalex-snapshot
Multi-target therapeutics: when the whole is greater than the sum of the parts
inferredcites →https://doi.org/10.1016/j.drudis.2007.02.013openalex-snapshot
Computational systems biology in drug discovery and development: methods and applications
inferredcites →https://doi.org/10.1016/j.drudis.2008.10.011openalex-snapshot
‘Metabolite-likeness’ as a criterion in the design and selection of pharmaceutical drug libraries
inferredcites →https://doi.org/10.1016/j.drudis.2008.11.007openalex-snapshot
Ligand efficiency and fragment-based drug discovery
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s1359-6446(01)01927-4openalex-snapshot
High content screening – from cells to data to knowledge
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(04)02956-3openalex-snapshot
Positioning ADMET in silico tools in drug discovery
inferredcites →https://doi.org/10.1016/s1359-6446(05)03419-7openalex-snapshot
Protein structure similarity clustering and natural product structure as guiding principles in drug discovery
inferredcites →https://doi.org/10.1016/s1359-6446(05)03675-5openalex-snapshot
Druggability: selecting optimized drug candidates
inferredcites →https://doi.org/10.1016/s1359644602025722openalex-snapshot
Nonleadlikeness and leadlikeness in biochemical screening
inferredcites →https://doi.org/10.1021/ci0003810openalex-snapshot
Improving the Odds in Discriminating “Drug-like” from “Non Drug-like” Compounds
inferredcites →https://doi.org/10.1021/ci0200467openalex-snapshot
Property Distributions: Differences between Drugs, Natural Products, and Molecules from Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/ci034207yopenalex-snapshot
Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier
inferredcites →https://doi.org/10.1021/ci0498719openalex-snapshot
Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance
inferredcites →https://doi.org/10.1021/ci600423uopenalex-snapshot
Virtual Exploration of the Chemical Universe up to 11 Atoms of C, N, O, F: Assembly of 26.4 Million Structures (110.9 Million Stereoisomers) and Analysis for New Ring Systems, Stereochemistry, Physicochemical Properties, Compound Classes, and Drug Discovery
inferredcites →https://doi.org/10.1021/ci700286xopenalex-snapshot
Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries
inferredcites →https://doi.org/10.1021/jm049066lopenalex-snapshot
Conformation Mining: An Algorithm for Finding Biologically Relevant Conformations
inferredcites →https://doi.org/10.1021/jm701291uopenalex-snapshot
Modern Natural Products Chemistry and Drug Discovery
inferredcites →https://doi.org/10.1021/jm970666copenalex-snapshot
Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules?
inferredcites →https://doi.org/10.1021/np068054vopenalex-snapshot
Natural Products as Sources of New Drugs over the Last 25 Years
inferredcites →https://doi.org/10.1021/np070002yopenalex-snapshot
ChemGPS-NP: Tuned for Navigation in Biologically Relevant Chemical Space
inferredcites →https://doi.org/10.1038/nbt1273openalex-snapshot
Structure-based maximal affinity model predicts small-molecule druggability
inferredcites →https://doi.org/10.1038/nchembio0807-442openalex-snapshot
Scaffold composition and biological relevance of screening libraries
inferredcites →https://doi.org/10.1038/nrd1609openalex-snapshot
Multicomponent therapeutics for networked systems
inferredcites →https://doi.org/10.1038/nrd2438openalex-snapshot
Carrier-mediated cellular uptake of pharmaceutical drugs: an exception or the rule?
inferredcites →https://doi.org/10.1038/nrd2445openalex-snapshot
The influence of drug-like concepts on decision-making in medicinal chemistry
inferredcites →https://doi.org/10.1038/nrd2514openalex-snapshot
2007 FDA drug approvals: a year of flux
inferredcites →https://doi.org/10.1038/sj.tpj.6500216openalex-snapshot
Evaluation of the carcinogenic effects of furazolidone and its metabolites in two fish species
inferredcites →https://doi.org/10.1039/b503623bopenalex-snapshot
Design of compound libraries based on natural product scaffolds and protein structure similarity clustering (PSSC)
inferredcites →https://doi.org/10.1073/pnas.0503647102openalex-snapshot
Charting biologically relevant chemical space: A structural classification of natural products (SCONP)
inferredcites →https://doi.org/10.1093/nar/gkj102openalex-snapshot
From genomics to chemical genomics: new developments in KEGG
inferredcites →https://doi.org/10.1111/j.1368-5031.2006.00924b.xopenalex-snapshot
When natural is not harmless
inferredcites →https://doi.org/10.1126/science.1116364openalex-snapshot
The Renaissance of Natural Products as Drug Candidates
inferredcites →https://doi.org/10.1186/1472-6807-6-6openalex-snapshot
Exploring dynamics of protein structure determination and homology-based prediction to estimate the number of superfamilies and folds
inferredcites →https://doi.org/10.1186/gb-2007-8-8-r176openalex-snapshot
Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery
inferredcites →https://doi.org/10.2174/156802606775193310openalex-snapshot
Diversity in Medicinal Chemistry Space
inferredcites →https://doi.org/10.2174/187231307779814066openalex-snapshot
Properties and Architecture of Drugs and Natural Products Revisited
inferredcites →https://doi.org/10.2533/chimia.2007.355openalex-snapshot
Cheminformatic Analysis of Natural Products and their Chemical Space
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/cbdv.201100156openalex-snapshot
Historical Variation of Structural Novelty in a Natural Product Library
inferred← citeshttps://doi.org/10.1007/s11030-011-9315-4openalex-snapshot
Molecular diversity and natural products
inferred← citeshttps://doi.org/10.1016/j.bioorg.2020.104503openalex-snapshot
Accelerating the identification of subtype selective inhibitors via Three-Dimensional Biologically Relevant Spectrum (BRS-3D): The monoamine oxidase subtypes as a case study
inferred← citeshttps://doi.org/10.1016/j.ijbiomac.2015.01.021openalex-snapshot
Extracted polysaccharide from Nyctanthes arbor-tristis leaves: Chemical and antitussive properties
inferred← citeshttps://doi.org/10.1016/j.jep.2014.08.012openalex-snapshot
In vivo antitussive activity of a pectic arabinogalactan isolated from Solanum virginianum L. in Guinea pigs
inferred← citeshttps://doi.org/10.1016/s0065-7743(10)45024-1openalex-snapshot
Reducing the Risk of Drug Attrition Associated with Physicochemical Properties
inferred← citeshttps://doi.org/10.1021/ci400432aopenalex-snapshot
Exploring the Biologically Relevant Chemical Space for Drug Discovery
inferred← citeshttps://doi.org/10.1038/srep24817openalex-snapshot
Constructing and Validating High-Performance MIEC-SVM Models in Virtual Screening for Kinases: A Better Way for Actives Discovery
inferred← citeshttps://doi.org/10.1039/c0md00157kopenalex-snapshot
Impact of ion class and time on oral drug molecular properties
inferred← citeshttps://doi.org/10.1039/c2md00238hopenalex-snapshot
A comparative analysis of the molecular topologies for drugs, clinical candidates, natural products, human metabolites and general bioactive compounds
inferred← citeshttps://doi.org/10.1039/d2np00089jopenalex-snapshot
A chemoinformatic analysis on natural glycosides with respect to biological origin and structural class
inferred← citeshttps://doi.org/10.1039/d3ra06831eopenalex-snapshot
Challenges in natural product-based drug discovery assisted with in silico -based methods
inferred← citeshttps://doi.org/10.1080/08927014.2013.820825openalex-snapshot
The anti-biofilm potential of pomegranate ( Punica granatum L.) extract against human bacterial and fungal pathogens
inferred← citeshttps://doi.org/10.1155/2011/525497openalex-snapshot
Navigating the Human Metabolome for Biomarker Identification and Design of Pharmaceutical Molecules
inferred← citeshttps://doi.org/10.1371/journal.pone.0111925openalex-snapshot
Anti-Ulcerogenic Effect of Methanolic Extracts from Enicosanthellum pulchrum (King) Heusden against Ethanol-Induced Acute Gastric Lesion in Animal Models
inferred← citeshttps://doi.org/10.1371/journal.pone.0240255openalex-snapshot
A novel assay for drug screening that utilizes the heat shock response of Caenorhabditis elegans nematodes
inferred← citeshttps://doi.org/10.17863/cam.16274openalex-snapshot
Molecular Similarity and Xenobiotic Metabolism
inferred← citeshttps://doi.org/10.2174/1568026613666131216110417openalex-snapshot
Reviewing Colchicaceae Alkaloids – Perspectives of Evolution on Medicinal Chemistry
inferred← citeshttps://doi.org/10.2174/1570163817666200316104404openalex-snapshot
An Analysis of QSAR Research Based on Machine Learning Concepts
inferred← citeshttps://doi.org/10.2174/18763960010030100194openalex-snapshot
Physicochemical Properties of Natural Based Products versus Synthetic Chemicals
inferred← citeshttps://doi.org/10.3389/fmicb.2017.00769openalex-snapshot
Anti-Biofilm and Antivirulence Activities of Metabolites from Plectosphaerella cucumerina against Pseudomonas aeruginosa
inferred← citeshttps://doi.org/10.3389/fmicb.2022.830632openalex-snapshot
Quorum Sensing Inhibition and Metabolic Intervention of 4-Hydroxycinnamic Acid Against Agrobacterium tumefaciens
inferred← citeshttps://doi.org/10.3390/ijms252111475openalex-snapshot
Time-Dependent Comparison of the Structural Variations of Natural Products and Synthetic Compounds
inferred← citeshttps://doi.org/10.70675/c0e49a28z60c8z43bez9911z45ad6867ddeaopenalex-snapshot
Defence on surface of Rhodophyta Halymenia floresii : metabolomic profile and interactions with its surface-associated bacteria
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