ArticleFuture science OA2018
Computational design of new molecular scaffolds for medicinal chemistry, part II: generalization of analog series-based scaffolds.
Article in Future science OA, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Comparative Assessment of Protein Kinase Inhibitors in Public Databases and in PKIDB.Molecules (Basel, Switzerland) · 2020Article
- Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions.ACS omega · 2018Article
- Collection of analog series-based scaffolds from public compound sources.Future science OA · 2018Review
- Article
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Authors and funding
3 authors.
Funding
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Abstract
aimExtending and generalizing the computational concept of analog series-based (ASB) scaffolds. MATERIALS &
methodsMethodological modifications were introduced to further increase the coverage of analog series (ASs) and compounds by ASB scaffolds. From bioactive compounds, ASs were systematically extracted and second-generation ASB scaffolds isolated.
resultsMore than 20,000 second-generation ASB scaffolds with single or multiple substitution sites were extracted from active compounds, achieving more than 90% coverage of ASs.
conclusionGeneralization of the ASB scaffold approach has yielded a large knowledge base of scaffold-capturing compound series and target information.
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