R Burbidge, M Trotter, B Buxton, S Holden - Computers & chemistry, 2001 - Elsevier
… of-the-art machinelearning technique outperforms several of … qualitative biological activity for drugdesign, using a publicly … to many areas of modern drugdesign and production, on …
… In this paper, advances in de novo drugdesign are discussed, spanning from conventional growth to machinelearning approaches. Briefly, conventional de novo drugdesign …
… Machinelearning (ML) has become a crucial component of early drug discovery. This research area has been fueled by two main factors. The first is the fast-growing availability of …
… Second, Compass's machinelearning algorithm analyzes and selects … Drugdesign methods that consider only single … We present the machinelearning procedure, experimental results …
… Computer-aided drugdesign is not only an interesting concept but also a business … recent developments in the field of drugdesign based on AI. 2 STAGES OF DRUGDESIGN …
M Jukič, U Bren - Frontiers in Pharmacology, 2022 - frontiersin.org
… In this review, we focus on the latest machinelearning approaches used in the discovery of … all applied machinelearning approaches and available databases useful for the design of …
… Machinelearning (ML) is becoming capable of transforming biomolecular interaction description and calculation, promising an impact on molecular and drugdesign, chemical biology, …
… CADD is a specialized branch that uses computational methods to model drug receptor … the time for drug discovery. In this article, we discuss the computational drugdesign of the …
H Yang, L Sun, W Li, G Liu, Y Tang - Frontiers in chemistry, 2018 - frontiersin.org
… for drugdesign, including machinelearning methods and structural alerts. Machinelearning … Though the methods and models are very helpful for drugdesign, there are still some …