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The following term was not found in PubMed: ndrey
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Showing results for Аndrey Yu. murcko
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Cheminformatic Analysis and Machine Learning Modeling to Investigate Androgen Receptor Antagonists to Combat Prostate Cancer.
Yu T, Nantasenamat C, Kachenton S, Anuwongcharoen N, Piacham T. Yu T, et al. ACS Omega. 2023 Feb 13;8(7):6729-6742. doi: 10.1021/acsomega.2c07346. eCollection 2023 Feb 21. ACS Omega. 2023. PMID: 36844574 Free PMC article.
The chemical space visualization in the principal component analysis (PCA) plot shows significant overlapping distributions between potent/active class molecules and intermediate/inactive class molecules; potent/active class molecules are intensively distributed, while intermedia …
The chemical space visualization in the principal component analysis (PCA) plot shows significant overlapping distributions between potent/a …
Machine Learning Approaches to Investigate the Structure-Activity Relationship of Angiotensin-Converting Enzyme Inhibitors.
Yu T, Nantasenamat C, Anuwongcharoen N, Piacham T. Yu T, et al. ACS Omega. 2023 Nov 8;8(46):43500-43510. doi: 10.1021/acsomega.3c03225. eCollection 2023 Nov 21. ACS Omega. 2023. PMID: 38027387 Free PMC article.
Exploratory data analysis was performed to visualize the physicochemical properties of compounds by investigating the distributions, patterns, and statistical significance among the different bioactivity groups. Further scaffold analysis has identified 9 representative Murcko …
Exploratory data analysis was performed to visualize the physicochemical properties of compounds by investigating the distributions, pattern …
Exploring the Chemical Space of CYP17A1 Inhibitors Using Cheminformatics and Machine Learning.
Yu T, Huang T, Yu L, Nantasenamat C, Anuwongcharoen N, Piacham T, Ren R, Chiang YC. Yu T, et al. Molecules. 2023 Feb 9;28(4):1679. doi: 10.3390/molecules28041679. Molecules. 2023. PMID: 36838665 Free PMC article.
For nonsteroidal inhibitors, a systematic cheminformatic analysis was applied for exploring the chemical space, Murcko scaffolds, and structure-activity relationships (SARs) for visualizing distributions, patterns, and representative scaffolds for drug discoveries. ...
For nonsteroidal inhibitors, a systematic cheminformatic analysis was applied for exploring the chemical space, Murcko scaffolds, and …