Hit Selection of Dipeptidyl Peptidase-4 Inhibitors Bearing Thieno[2,3-d]pyrimidine Scaffold.

Autor: Tomović Pavlović K; University of Nis Faculty of Medicine, Department of Pharmacy, Bulevar Dr Zorana Đinđića 81, 18000 Niš, Serbia, 18000, Niš, SERBIA., Ilić BS; University of Nis Faculty of Medicine, Department of Chemistry, Bulevar Dr Zorana Đinđića 81, 18000 Niš, Serbia, Niš, SERBIA., Dimov S; University of Chemical Technology and Metallurgy, University of Chemical Technology and Metallurgy, 8 Kliment Ohridski Blvd., 1756 Sofia, Bulgaria, Sofia, BULGARIA., Yancheva D; University of Chemical Technology and Metallurgy, University of Chemical Technology and Metallurgy, 8 Kliment Ohridski Blvd., 1756 Sofia, Bulgaria, Sofia, BULGARIA., Mavrova AT; University of Chemical Technology and Metallurgy, University of Chemical Technology and Metallurgy, 8 Kliment Ohridski Blvd., 1756 Sofia, Bulgaria, Sofia, BULGARIA., Šmelcerović A; University of Nis Faculty of Medicine, Department of Chemistry, Bulevar Dr Zorana Đinđića 81, 18000 Niš, Serbia, Niš, SERBIA.

Publikováno v: Chemistry & biodiversity [Chem Biodivers] 2024 Dec 30, pp. e202402178. Date of Electronic Publication: 2024 Dec 30.

GSSMD: New metric for robust and interpretable assay quality assessment and hit selection

Autor: Park, Seongyong, Khan, Shujaat

In the high-throughput screening (HTS) campaigns, the Z'-factor and strictly standardized mean difference (SSMD) are commonly used to assess the quality of assays and to select hits. However, these measures are vulnerable to outliers and their perfor

Externí odkaz: http://arxiv.org/abs/2001.06384

Brief Guide: Experimental Strategies for High-Quality Hit Selection from Small-Molecule Screening Campaigns

Autor: Rothenaigner, Ina, Hadian, Kamyar ^*

Publikováno v: In SLAS Discovery August 2021 26(7):851-854

Machine intelligence-driven framework for optimized hit selection in virtual screening

Autor: Neeraj Kumar, Vishal Acharya

Publikováno v: Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-21 (2022)

Abstract Virtual screening (VS) aids in prioritizing unknown bio-interactions between compounds and protein targets for empirical drug discovery. In standard VS exercise, roughly 10% of top-ranked molecules exhibit activity when examined in biochemic

Externí odkaz: https://doaj.org/article/3cec5c034c9c47388edb2156ac987462

A combination of 19F NMR and surface plasmon resonance for site-specific hit selection and validation of fragment molecules that bind to the ATP-binding site of a kinase

Autor: Nagatoishi, Satoru, Yamaguchi, Sou, Katoh, Etsuko, Kajita, Keita, Yokotagawa, Takane, Kanai, Satoru, Furuya, Toshio, Tsumoto, Kouhei

Publikováno v: In Bioorganic & Medicinal Chemistry 1 May 2018 26(8):1929-1938