Evidence map›Paper›PMID 38860710›Full record

ArticleJournal of chemical information and modeling2024

Building Block-Centric Approach to DNA-Encoded Library Design.

Patrick R Fitzgerald, Anjali Dixit, Chris Zhang, David L Mobley, Brian M Paegel

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Review
  5. A tailored CoA ligase-Nature catalysis · 2026
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Patrick R FitzgeraldSkaggs Doctoral Program in the Chemical and Biological Sciences, Scripps Research, La Jolla, California 92037, United States.ORCID 0000-0002-9324-2134
Anjali DixitDepartment of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States.ORCID 0000-0002-4997-8005
Chris ZhangDepartment of Chemistry, University of California, Irvine, California 92697, United States.ORCID 0000-0002-7298-7145
David L MobleyDepartment of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States.ORCID 0000-0002-1083-5533
Brian M PaegelDepartment of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States.ORCID 0000-0002-6531-6693

Funding

Activity-Based DNA-Encoded Library TechnologyR35GM140890 · NIGMS · UNIVERSITY OF CALIFORNIA-IRVINE · PI Brian M Paegel · 2021 to 2026
$2.2M
Accelerating drug discovery via ML-guided iterative design and optimizationR35GM148236 · NIGMS · UNIVERSITY OF CALIFORNIA-IRVINE · PI David Lowell Mobley · 2023 to 2026
$2.2M
NIGMS NIH HHS R35 GM140890NIGMS NIH HHS R35 GM148236
6 · The paper itself

Abstract

DNA-encoded library technology grants access to nearly infinite opportunities to explore the chemical structure space for drug discovery. Successful navigation depends on the design and synthesis of libraries with appropriate physicochemical properties (PCPs) and structural diversity while aligning with practical considerations. To this end, we analyze combinatorial library design constraints including the number of chemistry cycles, bond construction strategies, and building block (BB) class selection in pursuit of ideal library designs. We compare two-cycle library designs (amino acid + carboxylic acid, primary amine + carboxylic acid) in the context of PCPs and chemical space coverage, given different BB selection strategies and constraints. We find that broad availability of amines and acids is essential for enabling the widest exploration of chemical space. Surprisingly, cost is not a driving factor, and virtually, the same chemical space can be explored with "budget" BBs.

Indexed as

DNASmall Molecule LibrariesAminesCarboxylic AcidsCombinatorial Chemistry TechniquesDrug DesignDrug DiscoveryGene LibraryAminesCarboxylic AcidsDNASmall Molecule Libraries

Identifiers

PMID38860710
PMCPMC11200258

What Socratic holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.