Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.
about
Open Babel: An open chemical toolboxSCRIPDB: a portal for easy access to syntheses, chemicals and reactions in patentsHydrophobicity and charge shape cellular metabolite concentrationsCinfony – combining Open Source cheminformatics toolkits behind a common interfaceProteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small moleculesMINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomicsChemozart: a web-based 3D molecular structure editor and visualizer platformMany InChIs and quite some featIntegrated Computational Solution for Predicting Skin Sensitization Potential of MoleculesA large scale analysis of information-theoretic network complexity measures using chemical structuresDesigning focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methodsChemMine tools: an online service for analyzing and clustering small moleculesDrug Promiscuity in PDB: Protein Binding Site Similarity Is KeySecurely measuring the overlap between private datasets with cryptosetsA modularity-based method reveals mixed modules from chemical-gene heterogeneous networkPotential Compounds for Oral Cancer Treatment: Resveratrol, Nimbolide, Lovastatin, Bortezomib, Vorinostat, Berberine, Pterostilbene, Deguelin, Andrographolide, and ColchicineOpen source molecular modelingConfab - Systematic generation of diverse low-energy conformersS2RSLDB: a comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligandsIdentifying enriched drug fragments as possible candidates for metabolic engineeringInvestigation of the molecular similarity in closely related protein systems: The PrP case study.Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction.ChemmineR: a compound mining framework for R.FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects.Novel topological descriptors for analyzing biological networks.iDrug: a web-accessible and interactive drug discovery and design platform.PyADF--a scripting framework for multiscale quantum chemistry.Hit clustering can improve virtual fragment screening: CDK2 and PARP1 case studies.DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets.Drug repositioning through incomplete bi-cliques in an integrated drug-target-disease network.The semantics of Chemical Markup Language (CML) for computational chemistry : CompChemCommunication: Accurate hydration free energies at a wide range of temperatures from 3D-RISM.Sulfated small molecules targeting eBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA.hERGAPDbase: a database documenting hERG channel inhibitory potentials and APD-prolongation activities of chemical compounds.Rubabel: wrapping open Babel with Ruby.LIGSIFT: an open-source tool for ligand structural alignment and virtual screeningEfficient searching and annotation of metabolic networks using chemical similarity.PLIP: fully automated protein-ligand interaction profiler.FAF-Drugs3: a web server for compound property calculation and chemical library design.Molecular dynamics to enhance structure-based virtual screening on cathepsin B.
P2860
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P2860
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.
description
2008 nî lūn-bûn
@nan
2008 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի մարտին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.
@ast
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.
@en
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.
@nl
type
label
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.
@ast
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.
@en
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.
@nl
prefLabel
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.
@ast
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.
@en
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.
@nl
P356
P1476
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.
@en
P2093
Chris Morley
P2860
P2888
P356
10.1186/1752-153X-2-5
P577
2008-03-09T00:00:00Z
P5875
P6179
1000050661