ArticleMolecular informatics2020
From SAR Diagnostics to Compound Design: Development Chronology of the Compound Optimization Monitor (COMO) Method.
Article in Molecular informatics, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
What it found
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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.
The trial behind it
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Who cites it
4 citing papers in PubMed.
- Ligand-based approaches to activity prediction for the early stage of structure-activity-relationship progression.Journal of computer-aided molecular design · 2022Article
- Automatic Identification of Analogue Series from Large Compound Data Sets: Methods and Applications.Molecules (Basel, Switzerland) · 2021Review
- From SAR Diagnostics to Compound Design: Development Chronology of the Compound Optimization Monitor (COMO) Method.Molecular informatics · 2020Article
- DeepCOMO: from structure-activity relationship diagnostics to generative molecular design using the compound optimization monitor methodology.Journal of computer-aided molecular design · 2020Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
In medicinal chemistry, compound optimization largely depends on chemical knowledge, experience, and intuition, and progress in hit-to-lead and lead optimization projects is difficult to estimate. Accordingly, approaches are sought after that aid in assessing the odds of success with an optimization project and making decisions whether to continue or discontinue work on an analog series at a given stage. However, currently there are only very few approaches available that are capable of providing decision support. We introduce a computational methodology designed to combine the assessment of chemical saturation of analog series and structure-activity relationship (SAR) progression. The current endpoint of these development efforts, the compound optimization monitor (COMO), further extends lead optimization diagnostics to compound design and activity prediction. Hence, COMO plays dual role in supporting lead optimization campaigns.
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Registered trials
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