5.1 Informatic Tools, Processing, and Evaluation of DEL Selection Data
Book
Editors: Scheuermann, J. ; Li, Y.
Title: DNA-Encoded Libraries
Print ISBN: 9783132455221; Online ISBN: 9783132437357; Book DOI: 10.1055/b000000342
1st edition © 2024. Thieme. All rights reserved.
Georg Thieme Verlag KG, Stuttgart
Subjects: Organic Chemistry
Science of Synthesis Reference Libraries
Parent publication
Title: Science of Synthesis
DOI: 10.1055/b-00000101
Series Editors: Fürstner, A. (Editor-in-Chief); Carreira, E. M.; Faul, M.; Kobayashi, S.; Koch, G.; Molander, G. A.; Nevado, C.; Trost, B. M.; You, S.-L.
Type: Multivolume Edition
Abstract
![](https://www.thieme-connect.de/media/10.1055-b000000342/thumbnails/a_223smc.jpg)
DEL (DNA-encoded library) selection data is directly decoded from the readout using next-generation sequencing (NGS). For better evaluation of massive amounts of data, informatics tools making use of fundamental statistics are crucial to rule out the negatives together with identifying false-positive or false-negative signals. An understanding of the noise within the whole process, from the DEL construction to the NGS readout, will improve the accuracy and efficiency during data evaluation by scientists and, eventually, machine-learning models. Well-designed visualization tools are also helpful for efficient hit prioritization.
Key words
DNA-encoded libraries - DEL selection data - normalization - denoising - virtual synthons - enrichment calculation - DEL visualization tools- 10 Faver JC, Riehle K, Lancia Jr DR, Milbank JBJ, Kollmann CS, Simmons N, Yu Z, Matzuk MM. ACS Comb. Sci. 2019; 21: 75
- 12 Su W, Ge R, Ding D, Chen W, Wang W, Yan H, Wang W, Yuan Y, Liu H, Zhang M, Zhang J, Shu Q, Satz AL, Kuai L. Bioconjugate Chem. 2021; 32: 1001
- 13 Lim KS, Reidenbach AG, Hua BK, Mason JW, Gerry CJ, Clemons PA, Coley CW. J. Chem. Inf. Model. 2022; 62: 2316