Selection of compounds with a consideration of diversity can be computationally demanding. The computational cost scales as the square of the number of compounds being selected. In practice, a reasonable limit is approximately 1,000 compounds.
- Overcoming psychological barriers to good decision-making in drug discovery by Matt Segall
- Preprint: Applying Med Chem Transformations and MPO to Guide the Search for High Quality Leads and Candidates by Matt Segall
- Multi-parameter Optimisation in Drug Discovery: Quickly targeting compounds with a good balance of properties by Matt Segall
- StarDrop Reviewed on Macs in Chemistry Website in Optibrium News & Announcements by Matt Segall
- Announcing StarDrop 5.2 at ACS in Optibrium News & Announcements by Matt Segall
- New Editorial in IPI Journal in Optibrium News & Announcements by Matt Segall
- StarDrop Toxicity Models by Matt Segall
- StarVue by Ed Champness
- Lipophilicity Efficiency by Ed Champness
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