Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository. - Wikidata - wikimedia - TriplyDB

Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository.

Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository.

http://www.wikidata.org/entity/Q33420002

about

Chemoinformatic analysis of GRAS (Generally Recognized as Safe) flavor chemicals and natural products Web-based 3D-visualization of the DrugBank chemical space Consensus Diversity Plots: a global diversity analysis of chemical libraries Rational methods for the selection of diverse screening compounds Lifting the mask: identification of new small molecule inhibitors of uropathogenic Escherichia coli group 2 capsule biogenesis Ligand/kappa-opioid receptor interactions: insights from the X-ray crystal structure.Molpher: a software framework for systematic chemical space exploration Rapid scanning structure-activity relationships in combinatorial data sets: identification of activity switches.Exploration of Scaffolds from Natural Products with Antiplasmodial Activities, Currently Registered Antimalarial Drugs and Public Malarial Screen Data.Data Mining and Machine Learning Tools for Combinatorial Material Science of All-Oxide Photovoltaic Cells.Connecting synthetic chemistry decisions to cell and genome biology using small-molecule phenotypic profiling.Expanding the fragrance chemical space for virtual screening Increased diversity of libraries from libraries: chemoinformatic analysis of bis-diazacyclic libraries.Synthesis of a stereochemically diverse library of medium-sized lactams and sultams via S(N)Ar cycloetherification.Benzotriazoles and indazoles are scaffolds with biological activity against Entamoeba histolytica.Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles.Construction of a natural product library containing secondary metabolites produced by actinomycetes.Molecular scaffold analysis of natural products databases in the public domain.A cell-based fascin bioassay identifies compounds with potential anti-metastasis or cognition-enhancing functions.PubChem applications in drug discovery: a bibliometric analysis Finding novel pharmaceuticals in the systems biology era using multiple effective drug targets, phenotypic screening and knowledge of transporters: where drug discovery went wrong and how to fix it.Toward an efficient approach to identify molecular scaffolds possessing selective or promiscuous compounds.Selective agonists and antagonists of formylpeptide receptors: duplex flow cytometry and mixture-based positional scanning libraries.Quantifying structure and performance diversity for sets of small molecules comprising small-molecule screening collections.Integrating virtual and biochemical screening for protein tyrosine phosphatase inhibitor discovery.Balancing novelty with confined chemical space in modern drug discovery.Structural diversity of biologically interesting datasets: a scaffold analysis approach.Back to the Roots: Prediction of Biologically Active Natural Products from Ayurveda Traditional Medicine.Chemical Diversity of Metabolites from Fungi, Cyanobacteria, and Plants Relative to FDA-Approved Anticancer Agents.Database fingerprint (DFP): an approach to represent molecular databases.Scaffold Diversity of Fungal Metabolites Strategies for the Optimization of Natural Leads to Anticancer Drugs or Drug Candidates.4-Nitro styrylquinoline is an antimalarial inhibiting multiple stages of Plasmodium falciparum asexual life cycle.Clustered distribution of natural product leads of drugs in the chemical space as influenced by the privileged target-sites.The potential role of in silico approaches to identify novel bioactive molecules from natural resources.Chemoinformatic expedition of the chemical space of fungal products The Acid/Base Profile of the Human Metabolome and Natural Products.GPU accelerated chemical similarity calculation for compound library comparison.Natural products as DNA methyltransferase inhibitors: a computer-aided discovery approach.Using the gini coefficient to measure the chemical diversity of small-molecule libraries.

P2860

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P2860

Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository.

http://www.wikidata.org/entity/Q33420002

description

2009 nî lūn-bûn

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2009 թուականի Ապրիլին հրատարակուած գիտական յօդուած

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2009 թվականի ապրիլին հրատարակված գիտական հոդված

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2009年の論文

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2009年論文

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2009年論文

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2009年論文

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2009年論文

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2009年論文

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2009年论文

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Chemoinformatic analysis of co ...... ies small molecule repository.

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Chemoinformatic analysis of co ...... ies small molecule repository.

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Journal of Chemical Information and Modeling

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P2093

Clemencia Pinilla

http://www.w3.org/2001/XMLSchema#string

Jose L Medina-Franco

http://www.w3.org/2001/XMLSchema#string

Marc A Giulianotti

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Narender Singh

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Rajarshi Guha

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Richard A Houghten

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P2860

DrugBank: a knowledgebase for drugs, drug actions and drug targets

ZINC--a free database of commercially available compounds for virtual screening

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Similarity-based virtual screening using 2D fingerprints

Network pharmacology: the next paradigm in drug discovery

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 d

Diversity space and its application to library selection and design.

Survey of the diversity space coverage of reported combinatorial libraries.

New 4-point pharmacophore method for molecular similarity and diversity applications: overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures.

Mixture-based synthetic combinatorial libraries.

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1010-1024

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scholarly article

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10.1021/CI800426U

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4

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49

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24215526

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19301827

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2686115

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