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OpenBabel

Known as: Babel 
Open Babel is free software, a chemical expert system mainly used for converting chemical file formats. Due to the strong relationship to informatics… 
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Related topics

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AndroidAvogadroC++Chemical file format

Broader (1)

Cheminformatics

Papers overview

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2018
2018
Improvements in Shotgun Drug Repurposing Accuracy: Combining OpenBabel with Bioinformatic Docking Data in the CANDO Platform
2017
2017
Búsqueda computacional de pequeños fármacos contra la enfermedad de Huntington
2017
2017
Molecular Docking Study of Certain Plant Alkaloid Derivatives as Inhibitors of Various Drug Targets of Alzheimer’s Disease
Alzheimer’s disease is a deadly form of dementia, and can greatly affect the way a person can think and behave. It is the sixth… 
2017
2017
Structure-Force Field Generator for Molecular Dynamics Simulations
Atomistic and molecular simulations have become an important research field due to the progress made in computer performance and… 
2014
2014
Comparison of Free Docking Tools
Database of natural medicinal compounds, primarily derived from plants are widely available, distributed and can be accessed for… 
2013
2013
Acceleration of the MMFF94 routines within OpenBabel using Eigen and OpenCL
MSc in High Performance Computing Acceleration of the MMFF94 routines within OpenBabel using Eigen and OpenCL by Omar Valerio… 
2013
2013
Predicting bioactivity of compound -drug target protein pairs using support vector regression models reflecting ligand efficiency
Predicting bioactivity of compounds to drug target proteins using machine learning met hods is one of the most intensively… 
2010
2010
ChemT, a software for building template-based 3D chemical libraries.
ln the modem drug discovery process vast quantities of compounds are generated and there is a need for bioinformatic tools to… 
2009
2009
ThermInfo: Collecting and Presenting Thermochemical Properties
Due to the large amount of chemical data available, it is essential to organize them and given the numerous problems derived from… 
2007
2007
DOVIS: A Tool for High-Throughput Virtual Screening
We developed a Docking-based Virtual Screening (DOVIS) pipeline to predict how small molecules may interact with a given protein… 
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