QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents

The QuBiLs-MAS approach is used for the in silico modelling of the antifungal activity of organic molecules. To this effect, non-stochastic (NS) and simple-stochastic (SS) atom-based quadratic indices are used to codify chemical information for a comprehensive dataset of 2478 compounds having a grea...

Full description

Autores:

Tipo de recurso:

Fecha de publicación:

2015

Institución:

Universidad Tecnológica de Bolívar

Repositorio:

Repositorio Institucional UTB

Idioma:

eng

OAI Identifier:

oai:repositorio.utb.edu.co:20.500.12585/9032

Acceso en línea:

https://hdl.handle.net/20.500.12585/9032

Palabra clave:

Atom-based quadratic indices
Linear discriminant analysis
QSAR model
QuBiLs-MAS software
Vrtual screening, antifungal agent
Antifungal agent
Chemistry
Computer simulation
Discriminant analysis
Drug development
Quantitative structure activity relation
Statistical model
Antifungal Agents
Computer simulation
Discriminant analysis
Drug Discovery
Linear Models
Quantitative Structure-Activity Relationship

Rights

restrictedAccess

License

http://creativecommons.org/licenses/by-nc-nd/4.0/