Virtual Screening in Drug Design

2013 ◽  
pp. 1-12 ◽  
Author(s):  
Markus Lill
Keyword(s):  
Virtual Screening ◽  
Drug Design

Chapter 5. Molecular Field Topology Analysis in Drug Design and Virtual Screening

2009 ◽  
pp. 150-181 ◽  
Author(s):  
Eugene V. Radchenko ◽  
Vladimir A. Palyulin ◽  
Nikolay S. Zefirov
Keyword(s):  
Virtual Screening ◽  
Drug Design ◽  
Molecular Field ◽  
Topology Analysis

scholarly journals Improved method of structure-based virtual screening based on ensemble learning

RSC Advances ◽  
2020 ◽  
Vol 10 (13) ◽  
pp. 7609-7618
Author(s):  
Jin Li ◽  
WeiChao Liu ◽  
Yongping Song ◽  
JiYi Xia
Keyword(s):  
Virtual Screening ◽  
Drug Design ◽  
Ensemble Learning ◽  
High Throughput ◽  
High Throughput Screening ◽  
Screening Method ◽  
Improved Method ◽  
Complementary Technique

Virtual screening has become a successful alternative and complementary technique to experimental high-throughput screening technologies for drug design. This paper proposed a target-specific virtual screening method based on ensemble learning named ENS-VS.

scholarly journals Using Machine Learning to Develop a High-Performance Virtual Screening Method for Drug Design

2014 ◽  
Vol 29 (1) ◽  
pp. 194-200
Author(s):  
Masato Okada ◽  
Katsutoshi Kanamori ◽  
Shin Aoki ◽  
Hayato Ohwada
Keyword(s):  
Machine Learning ◽  
Virtual Screening ◽  
Drug Design ◽  
High Performance ◽  
Screening Method

The Role of Virtual Screening in Computer Aided Structure-Based Drug Design

ChemInform ◽  
2005 ◽  
Vol 36 (8) ◽  
Author(s):  
Kim M. Branson ◽  
Brian J. Smith
Keyword(s):  
Virtual Screening ◽  
Drug Design ◽  
Structure Based Drug Design ◽  
Computer Aided

scholarly journals Virtual Screening Strategies in Drug Design

2012 ◽  
Vol 4 (6) ◽  
Author(s):  
Ricardo P. Rodrigues ◽  
Susimaire P. Mantoani ◽  
Jonathan R. de Almeida ◽  
Flávio Roberto Pinsetta ◽  
Evandro P. Semighini ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Drug Design ◽  
Screening Strategies
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