Zobrazeno 1 - 5 of 5 pro vyhledávání: '"Georgia McGaughey"'
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Akademický článek
Understanding covariate shift in model performance [version 3; referees: 2 approved]
Autor: Georgia McGaughey, W. Patrick Walters, Brian Goldman
Publikováno v: F1000Research, Vol 5 (2016)
Three (3) different methods (logistic regression, covariate shift and k-NN) were applied to five (5) internal datasets and one (1) external, publically available dataset where covariate shift existed. In all cases, k-NN’s performance was inferior t
Externí odkaz: https://doaj.org/article/60f8a44f651d411aa11abdcf8854b0ab
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2
D3R Grand Challenge 4: Blind Prediction of Protein-Ligand Poses, Affinity Rankings, and Relative Binding Free Energies
Autor: conor parks, Zied Gaieb, Michael Chiu, Huanwang Yang, Chenghua Shao, W. Patrick Walters, Johanna M. Jansen, Georgia McGaughey, Richard A. Lewis, Scott D. Bembenek, Michael K. Ameriks, Tara Mirzadegan, Stephen K. Burley, Rommie Amaro, Michael Gilson
Publikováno v: Journal of computer-aided molecular design, vol 34, iss 2
The Drug Design Data Resource (D3R) aims to identify best practice methods for computer aided drug design through blinded ligand pose prediction and affinity challenges. Herein, we report on the results of Grand Challenge 4 (GC4). GC4 focused on prot
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f4200f6a797b77dbbe2d3d207bd6f54
https://doi.org/10.26434/chemrxiv.11363006
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3
Discovery of [¹¹C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors
Autor: Christopher D, Cox, Eric D, Hostetler, Broc A, Flores, Jeffrey L, Evelhoch, Hong, Fan, Liza, Gantert, Marie, Holahan, Waisi, Eng, Aniket, Joshi, Georgia, McGaughey, Xiangjun, Meng, Mona, Purcell, Izzat T, Raheem, Kerry, Riffel, Youwei, Yan, John J, Renger, Sean M, Smith, Paul J, Coleman
Publikováno v: Bioorganicmedicinal chemistry letters. 25(21)
Phosphodiesterase 10A (PDE10A) inhibition has recently been identified as a potential mechanism to treat multiple symptoms that manifest in schizophrenia. In order to facilitate preclinical development and support key proof-of-concept clinical trials
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::3653efc48d65eecac08112ba08a76246
https://pubmed.ncbi.nlm.nih.gov/26077491
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