Optimum search strategies or novel 3D molecular descriptors: Is there a stalemate?

The present manuscript describes a novel 3D-QSAR alignment free method (QuBiLS-MIDAS Duplex) based on algebraic bilinear, quadratic and linear forms on the kth two-tuple spatial-(dis)similarity matrix. Generalization schemes for the inter-atomic spatial distance using diverse (dis)-similarity measur...

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:20.500.12585/9011

Acceso en línea:

https://hdl.handle.net/20.500.12585/9011

Palabra clave:

3D-QSAR
Aggregation operator
Alignment free method
Minkowski distance matrix
Principal component analysis
QuBiLS-MIDAS
TOMOCOMD-CARDD
Two-tuple spatial-(dis)similarity matrix
Variability analysis
Corticosteroid
Globulin
Steroid
Article
Atom
Binding affinity
Data base
High throughput screening
Information
Methodology
Priority journal
Quantitative structure activity relation
Training

Rights

restrictedAccess

License

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