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AI in drug discovery and its clinical relevance
The COVID-19 pandemic has emphasized the need for novel drug discovery process.
However, the journey from conceptualizing a drug to its eventual implementation in clinical …
However, the journey from conceptualizing a drug to its eventual implementation in clinical …
Predictive chemistry: machine learning for reaction deployment, reaction development, and reaction discovery
The field of predictive chemistry relates to the development of models able to describe how
molecules interact and react. It encompasses the long-standing task of computer-aided …
molecules interact and react. It encompasses the long-standing task of computer-aided …
Concepts and applications of chemical fingerprint for hit and lead screening
J Yang, Y Cai, K Zhao, H **e, X Chen - Drug discovery today, 2022 - Elsevier
Highlights•Providing concepts and generation processes of chemical fingerprints.•
Comparing the algorithms and characteristics among different types of fingerprints.• …
Comparing the algorithms and characteristics among different types of fingerprints.• …
Artificial intelligence in drug discovery: applications and techniques
Artificial intelligence (AI) has been transforming the practice of drug discovery in the past
decade. Various AI techniques have been used in many drug discovery applications, such …
decade. Various AI techniques have been used in many drug discovery applications, such …