DataWarrior: an open-source program for chemistry aware data visualization and analysis.
about
Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from WikipediaWeb-based 3D-visualization of the DrugBank chemical spaceLooking for inhibitors of the dengue virus NS5 RNA-dependent RNA-polymerase using a molecular docking approachHigh Throughput Screening Identifies Novel Lead Compounds with Activity against Larval, Juvenile and Adult Schistosoma mansoniOpen source molecular modelingZINC 15--Ligand Discovery for EveryoneExploration of Scaffolds from Natural Products with Antiplasmodial Activities, Currently Registered Antimalarial Drugs and Public Malarial Screen Data.Eawag-Soil in enviPath: a new resource for exploring regulatory pesticide soil biodegradation pathways and half-life data.chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery.3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine.Progress in visual representations of chemical space.Molecular docking based screening of novel designed chalcone series of compounds for their anti-cancer activity targeting EGFR kinase domainA Large and Phylogenetically Diverse Class of Type 1 Opsins Lacking a Canonical Retinal Binding SiteDihydrobenz[e][1,4]oxazepin-2(3H)-ones, a new anthelmintic chemotype immobilising whipworm and reducing infectivity in vivoPrioritization of anti-malarial hits from nature: chemo-informatic profiling of natural products with in vitro antiplasmodial activities and currently registered anti-malarial drugs.A Predictive Model for Toxicity Effects Assessment of Biotransformed Hepatic Drugs Using Iterative Sampling Method.In Silico Identification of Proteins Associated with Drug-induced Liver Injury Based on the Prediction of Drug-target Interactions.Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitorsC-SPADE: a web-tool for interactive analysis and visualization of drug screening experiments through compound-specific bioactivity dendrograms.Chemoinformatic expedition of the chemical space of fungal productsChemical toxicity prediction for major classes of industrial chemicals: Is it possible to develop universal models covering cosmetics, drugs, and pesticides?Docking-based virtual screening of Brazilian natural compounds using the OOMT as the pharmacological target database.ChemTreeMap: an interactive map of biochemical similarity in molecular datasets.Development and validation of hydrophobic molecular fields derived from the quantum mechanical IEF/PCM-MST solvation models in 3D-QSAR.Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds.Identification and prioritization of novel anti-Wolbachia chemotypes from screening a 10,000-compound diversity library.Scaffold Hunter: a comprehensive visual analytics framework for drug discovery.Boron-Based Inhibitors of the NLRP3 Inflammasome.Cheminformatic characterization of natural products from Panama.An Integrated Computational Approach for Plant-Based Protein Tyrosine Phosphatase Non-Receptor Type 1 Inhibitors.Polyphenols as Promising Drugs against Main Breast Cancer Signatures.Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases.Novel Mixed-Type Inhibitors of Protein Tyrosine Phosphatase 1B. Kinetic and Computational Studies.Quantitative Structure-Activity Relationship Model for HCVNS5B inhibitors based on an Antlion Optimizer-Adaptive Neuro-Fuzzy Inference System.In silico ligand-based modeling of hBACE-1 inhibitors.Combining Fragment-Ion and Neutral-Loss Matching during Mass Spectral Library Searching: A New General Purpose Algorithm Applicable to Illicit Drug Identification.Discovery of Therapeutic Lead Molecule Against β-Tubulin Using Computational Approach.Exploring β-Tubulin Inhibitors from Plant Origin using Computational Approach.Tools, techniques, organisation and culture of the CADD group at Sygnature Discovery.Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket.
P2860
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P2860
DataWarrior: an open-source program for chemistry aware data visualization and analysis.
description
2015 nî lūn-bûn
@nan
2015 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2015 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
name
DataWarrior: an open-source program for chemistry aware data visualization and analysis.
@ast
DataWarrior: an open-source program for chemistry aware data visualization and analysis.
@en
type
label
DataWarrior: an open-source program for chemistry aware data visualization and analysis.
@ast
DataWarrior: an open-source program for chemistry aware data visualization and analysis.
@en
prefLabel
DataWarrior: an open-source program for chemistry aware data visualization and analysis.
@ast
DataWarrior: an open-source program for chemistry aware data visualization and analysis.
@en
P2093
P921
P356
P1476
DataWarrior: an open-source program for chemistry aware data visualization and analysis.
@en
P2093
Christian Rufener
Joel Freyss
Modest von Korff
Thomas Sander
P304
P356
10.1021/CI500588J
P577
2015-02-02T00:00:00Z