Methods in molecular biology (Clifton, N.J.)
Jan 1, 2022
The discovery and development of drugs is a long and expensive process with a high attrition rate. Computational drug discovery contributes to ligand discovery and optimization, by using models that describe the properties of ligands and their intera...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2022
Artificial intelligence has seen an incredibly fast development in recent years. Many novel technologies for property prediction of drug molecules as well as for the design of novel molecules were introduced by different research groups. These artifi...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2022
Artificial intelligence (AI) consists of a synergistic assembly of enhanced optimization strategies with wide application in drug discovery and development, providing advanced tools for promoting cost-effectiveness throughout drug life cycle. Specifi...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2022
In the latest years, the application of deep generative models to suggest virtual compounds is becoming a new and powerful tool in drug discovery projects. The idea behind this review is to offer an updated view on de novo design approaches based on ...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2022
Artificial intelligence (AI) offers new possibilities for hit and lead finding in medicinal chemistry. Several instances of AI have been used for prospective de novo drug design. Among these, chemical language models have been shown to perform well i...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2022
Artificial intelligence (AI) tools find increasing application in drug discovery supporting every stage of the Design-Make-Test-Analyse (DMTA) cycle. The main focus of this chapter is the application in molecular generation with the aid of deep neura...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2022
Machine Learning (ML) and Deep Learning (DL) are two subclasses of Artificial Intelligence (AI), that, in this day and age of big data provides significant opportunities to pharmaceutical discovery research and development by translating data to info...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2022
The development of vaccines for the treatment of COVID-19 is paving the way for new hope. Despite this, the risk of the virus mutating into a vaccine-resistant variant still persists. As a result, the demand of efficacious drugs to treat COVID-19 is ...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2022
Artificial intelligence (AI) has undergone rapid development in recent years and has been successfully applied to real-world problems such as drug design. In this chapter, we review recent applications of AI to problems in drug design including virtu...
Medical gas research
Jan 1, 2022
The coronavirus disease 2019 (COVID-19) epidemic went down in history as a pandemic caused by corona-viruses that emerged in 2019 and spread rapidly around the world. The different symptoms of COVID-19 made it difficult to understand which variables ...