Literature DB >> 15939331

There is no such thing as 'diversity'!

Hans-Jörg Roth1.   

Abstract

Within the context of the increasing application of combinatorial methodology, the term 'diversity' has gained significant importance. The general understanding of this term is that diversity describes the degree of dissimilarity within a set of chemical structures. This Opinion article proposes that this understanding is superficial at best and irrelevant at worst. It is argued that relevant diversity can only be measured by the application of external criteria (such as a biological assay), which can discriminate the different structures by their different behaviour within this external context. According to this understanding, the diversity of a collection is highly dependent on the applied criteria. Therefore, a relevant diversity of chemical structures, per se, does not exist.

Mesh:

Year:  2005        PMID: 15939331     DOI: 10.1016/j.cbpa.2005.03.002

Source DB:  PubMed          Journal:  Curr Opin Chem Biol        ISSN: 1367-5931            Impact factor:   8.822


  6 in total

1.  Novel Algorithms for the Identification of Biologically Informative Chemical Diversity Metrics.

Authors:  Bhargav Theertham; Jenna L Wang; Jianwen Fang; Gerald H Lushington
Journal:  Curr Comput Aided Drug Des       Date:  2008-03-01       Impact factor: 1.606

2.  Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria.

Authors:  Sereina Riniker; Gregory A Landrum; Floriane Montanari; Santiago D Villalba; Julie Maier; Johanna M Jansen; W Patrick Walters; Anang A Shelat
Journal:  F1000Res       Date:  2017-07-17

Review 3.  Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening.

Authors:  Shardul Paricharak; Oscar Méndez-Lucio; Aakash Chavan Ravindranath; Andreas Bender; Adriaan P IJzerman; Gerard J P van Westen
Journal:  Brief Bioinform       Date:  2018-03-01       Impact factor: 11.622

4.  Open-source platform to benchmark fingerprints for ligand-based virtual screening.

Authors:  Sereina Riniker; Gregory A Landrum
Journal:  J Cheminform       Date:  2013-05-30       Impact factor: 5.514

5.  Scaffold Diversity Synthesis Delivers Complex, Structurally, and Functionally Distinct Tetracyclic Benzopyrones.

Authors:  Muthukumar G Sankar; Sayantani Roy; Tuyen Thi Ngoc Tran; Kathrin Wittstein; Jonathan O Bauer; Carsten Strohmann; Slava Ziegler; Kamal Kumar
Journal:  ChemistryOpen       Date:  2018-04-26       Impact factor: 2.911

6.  Synthesis of Structurally Diverse N-Substituted Quaternary-Carbon-Containing Small Molecules from α,α-Disubstituted Propargyl Amino Esters.

Authors:  Natalia Mateu; Sarah L Kidd; Leen Kalash; Hannah F Sore; Andrew Madin; Andreas Bender; David R Spring
Journal:  Chemistry       Date:  2018-08-13       Impact factor: 5.236

  6 in total

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