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  "notes": "The chart uses a Pareto front to illustrate the trade-off between CNS score and Potency, highlighting that the 'best' molecules are not always the most information-rich.",
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      "text": "Our active learning approach selected compounds both close to and away from the pareto front (dotted arch) using a combination of MPO and coverage score. \"Seemingly unattractive\" compounds, 1&2, were identified, away from the pareto front. 1&2 were non-optimal on any predicted property but were structurally different. Structures were synthesised and tested – this new scaffold providing a better starting point to achieve the TPP. Further cycles of design refined hits to produce ‘539",
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      "text": "20 compounds (square) are selected by active learning chemical coverage; other compounds (circles) were not selected",
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