A review of ligand-based virtual screening web tools and screening algorithms in large molecular databases in the age of big data
AJ Banegas-Luna, JP Cerón-Carrasco… - Future medicinal …, 2018 - Taylor & Francis
Virtual screening has become a widely used technique for helping in drug discovery
processes. The key to this success is its ability to aid in the identification of novel bioactive …
processes. The key to this success is its ability to aid in the identification of novel bioactive …
Big data analytics techniques in virtual screening for drug discovery
K Sid, MC Batouche - Proceedings of the 2nd international Conference …, 2017 - dl.acm.org
Virtual screening (VS) is a computational method used in the drug discovery process by
searching large libraries of small molecules to identify that represent leads for certain target …
searching large libraries of small molecules to identify that represent leads for certain target …
Ensemble learning for large scale virtual screening on apache spark
K Sid, M Batouche - Computational Intelligence and Its Applications: 6th …, 2018 - Springer
Virtual screening (VS) is an in-silico tool for drug discovery that aims to identify the candidate
drugs through computational techniques by screening large libraries of small molecules …
drugs through computational techniques by screening large libraries of small molecules …
Distributed heterogeneous ensemble learning on Apache Spark for ligand-based virtual screening
K Sid, M Batouche - … Journal of Data Mining, Modelling and …, 2021 - inderscienceonline.com
Virtual screening is one of the most common computer-aided drug design techniques that
apply computational tools and methods on large libraries of molecules to extract the drugs …
apply computational tools and methods on large libraries of molecules to extract the drugs …
Understanding and formulation of various kernel techniques for suport vector machines
P Bohra, H Palivela - 2015 IEEE International Conference on …, 2015 - ieeexplore.ieee.org
Support Vector Machines (SVM's) are supervised learning algorithms which can be used for
analyzing patterns and classifying data. This supervised algorithm is applicable for binary …
analyzing patterns and classifying data. This supervised algorithm is applicable for binary …
Algorithms for ligand based virtual screening in drug discovery
K Babaria, S Ambegaokar, S Das… - … Conference on Applied …, 2015 - ieeexplore.ieee.org
Machine learning can play a very important role in various crucial applications like data
mining and pattern recognition. Machine learning techniques have been widely used in drug …
mining and pattern recognition. Machine learning techniques have been widely used in drug …
Application of various graph kernels for finding molecular similarity in ligand based drug discovery
H Palivela, CR Nirmala… - 2017 4th International …, 2017 - ieeexplore.ieee.org
There have been various measures and techniques which have currently been used in
order to measure the similarity between graphs [1]. In this paper, molecules have been …
order to measure the similarity between graphs [1]. In this paper, molecules have been …
Check for updates Ensemble Learning for Large Scale Virtual Screening on Apache Spark
K Sid iD, M Batouche - … Intelligence and Its Applications: 6th IFIP …, 2018 - books.google.com
Virtual screening (VS) is an in-silico tool for drug discovery that aims to identify the candidate
drugs through computational techniques by screening large libraries of small molecules …
drugs through computational techniques by screening large libraries of small molecules …
Natural product compound databases-analysis of their diversity and applicability for virtual screening
ÞH Ingadóttir - 2018 - skemman.is
Natural products are molecules, usually secondary metabolites, found in nature and are
produced by living organisms. They have been used for medicinal purposes for millennia …
produced by living organisms. They have been used for medicinal purposes for millennia …