Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Jen-Yueh Hsiao"'
Publikováno v:
npj Quantum Information, Vol 9, Iss 1, Pp 1-12 (2023)
Abstract Prediction of tautomers plays an essential role in computer-aided drug discovery. However, it remains a challenging task nowadays to accurately predict the canonical tautomeric form of a given drug-like molecule. Lack of extensive tautomer d
Externí odkaz:
https://doaj.org/article/37e7089f569f4addb3e5077c3ca8c3cc
Prediction of tautomers plays an essential role in computer-aided drug discovery. However, it remains a challenging task nowadays to accurately predict the canonical tautomeric form of a given drug-like molecule. Lack of extensive tautomer databases,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d208236a02c6a66de6bbc25de90e9477
Autor:
Po-Yu Kao, Ya-Chu Yang, Wei-Yin Chiang, Jen-Yueh Hsiao, Yudong Cao, Alex Aliper, Feng Ren, Alán Aspuru-Guzik, Alex Zhavoronkov, Min-Hsiu Hsieh, Yen-Chu Lin
De novo drug design with desired biological activities is crucial for developing novel therapeutics for patients. The drug development process is time and resource-consuming, and it has a low probability of success. Recent advances in machine learnin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::772cf2713696c6004c78053836374f94
Publikováno v:
NPJ Quantum Information; 11/18/2023, Vol. 9 Issue 1, p1-12, 12p
Publikováno v:
Drug Week; 11/10/2023, p3185-3185, 1p