Using Machine Learning to Develop a High-Performance Virtual Screening Method for Drug Design
نویسندگان
چکیده
منابع مشابه
Machine learning in virtual screening.
In this review, we highlight recent applications of machine learning to virtual screening, focusing on the use of supervised techniques to train statistical learning algorithms to prioritize databases of molecules as active against a particular protein target. Both ligand-based similarity searching and structure-based docking have benefited from machine learning algorithms, including naïve Baye...
متن کاملMachine Learning for Drug Design
A common step in drug design is the formation of a quantitative structure-activity relationship (QSAR) to model an exploratory series of compounds. A QSAR generalizes how the structure of a compound relates to its biological activity. There is growing interest in the application of machine learning techniques in QSAR modeling research. However, no single technique can claim to be uniformly supe...
متن کاملA Hybrid Machine Learning Method for Intrusion Detection
Data security is an important area of concern for every computer system owner. An intrusion detection system is a device or software application that monitors a network or systems for malicious activity or policy violations. Already various techniques of artificial intelligence have been used for intrusion detection. The main challenge in this area is the running speed of the available implemen...
متن کاملA Machine Learning Approach to No-Reference Objective Video Quality Assessment for High Definition Resources
The video quality assessment must be adapted to the human visual system, which is why researchers have performed subjective viewing experiments in order to obtain the conditions of encoding of video systems to provide the best quality to the user. The objective of this study is to assess the video quality using image features extraction without using reference video. RMSE values and processing ...
متن کاملVirtual Screening: A Fast Tool for Drug Design
Computational screening of databases has become increasingly popular in the pharmaceutical research. Virtual screening uses computer based methods to discover new ligands on the basis of biological structures. Virtual screening is divided into structural based screening (docking) and screening using active compounds as templates (ligand based virtual screening). Ligand based screening technique...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Transactions of the Japanese Society for Artificial Intelligence
سال: 2014
ISSN: 1346-0714,1346-8030
DOI: 10.1527/tjsai.29.194