Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Forrest York"'
Autor:
James Thompson, W Patrick Walters, Jianwen A Feng, Nicolas A Pabon, Hongcheng Xu, Brian B Goldman, Demetri Moustakas, Molly Schmidt, Forrest York
Publikováno v:
Artificial Intelligence in the Life Sciences, Vol 3, Iss , Pp 100074- (2023)
Externí odkaz:
https://doaj.org/article/38729ea392e043bb89ec2e372de9b12e
Autor:
James Thompson, W Patrick Walters, Jianwen A Feng, Nicolas A Pabon, Hongcheng Xu, Brian B Goldman, Demetri Moustakas, Molly Schmidt, Forrest York
Publikováno v:
Artificial Intelligence in the Life Sciences, Vol 2, Iss , Pp 100050- (2022)
While Relative Binding Free Energy (RBFE) calculations have become a mainstay in lead optimization programs, the computational expense of performing these calculations has limited their broader application. Active learning (AL), a machine learning me
Externí odkaz:
https://doaj.org/article/ddb6aa44a7cb41bfb5fdeed6a3246b71
Autor:
She Zhang, Jeff P. Thompson, Junchao Xia, Anthony T. Bogetti, Forrest York, A. Geoffrey Skillman, Lillian T. Chong, David N. LeBard
Publikováno v:
Journal of chemical information and modeling. 62(8)
Passive permeability of a drug-like molecule is a critical property assayed early in a drug discovery campaign that informs a medicinal chemist how well a compound can traverse biological membranes, such as gastrointestinal epithelial or restrictive
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a64eea89dd532ec6e2bb7552c804b80
https://pubmed.ncbi.nlm.nih.gov/35421313
https://pubmed.ncbi.nlm.nih.gov/35421313
Autor:
She Zhang, Jeff Thompson, Junchao Xia, Anthony Bogetti, Forrest York, Geoffrey Skillman, Lillian Chong, David LeBard
Passive permeability of a drug-like molecule is a critical assay early in a drug discovery campaign that informs a medicinal chemist how well a compound can traverse biological membranes, such as gastrointestinal epithelial or restrictive organ barri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b7674009ed32dd81c8465d367673c592
https://doi.org/10.26434/chemrxiv-2021-mmv2k
https://doi.org/10.26434/chemrxiv-2021-mmv2k
