Ligand-Based Virtual Screening Approach Using a New Scoring Function
- Author
- HAMZA, Adel1 ; WEI, Ning-Ning1 2 ; ZHAN, Chang-Guo1
[1] Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, Kentucky 40536, United States
[2] School of Life Science and Biotechnology, Dalian University of Technology, No. 2 Linggong Road, Ganjingzi District, Dalian, Liaoning 116024, China - Source
Journal of chemical information and modeling. 2012, Vol 52, Num 4, pp 963-974, 12 p ; ref : 40 ref
- ISSN
- 1549-9596
- Scientific domain
- Chemistry; Computer science
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Bioinformatique Chimie informatique Courbe noircissement Criblage virtuel Intervalle confiance Ligand Méthode ROC Méthode score Protéine Simulation ordinateur
- Keyword (en)
- Bioinformatics Computational chemistry Characteristic curve Virtual screening Confidence interval Ligand Receiver operating characteristic curves Scoring credit Protein Computer simulation
- Keyword (es)
- Bioinformática Química informática Curva ennegrecimiento Cribado virtual Intervalo confianza Ligando Método ROC Valuación crédito Proteína Simulación computadora
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01A Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry / 001C01A01 General. Nomenclature, chemical documentation, computer chemistry
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D02 Computer science; control theory; systems / 001D02B Software / 001D02B07 Memory organisation. Data processing / 001D02B07B Data processing. List processing. Character string processing
- Pascal
- 002 Biological and medical sciences / 002A Fundamental and applied biological sciences. Psychology / 002A02 Analytical, structural and metabolic biochemistry / 002A02D Proteins / 002A02D01 General aspects, investigation methods
- Pascal
- 002 Biological and medical sciences / 002B Medical sciences / 002B02 Pharmacology. Drug treatments / 002B02A General pharmacology / 002B02A03 Pharmaceutical technology. Pharmaceutical industry
- Discipline
- Analytical, structural and metabolic biochemistry Computer science : theoretical automation and systems General chemistry and physical chemistry General pharmacology
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 25855246
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/ci200617d 
https://dx.doi.org/10.1021/ci200617d
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