Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and library filtering.
8.3
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Data & Analytics
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Excellent medicinal chemistry skill with comprehensive coverage of drug-likeness filtering, structural alerts, and compound prioritization. The description clearly articulates when to use the skill, and SKILL.md provides extensive task knowledge including detailed code examples for all major capabilities (Ro5, PAINS, NIBR filters, Lilly demerits, complexity metrics). Structure is well-organized with clear module breakdown, practical workflow patterns, and appropriate references to supporting files. The skill demonstrates strong novelty by packaging specialized medicinal chemistry expertise that would otherwise require significant domain knowledge and multiple tool invocations. Minor improvement areas: could slightly enhance the initial description to mention specific capabilities like Lilly demerits and complexity metrics, and the structure could benefit from a more prominent index section at the top. Overall, this is a highly useful skill that meaningfully reduces the complexity and token cost of pharmaceutical compound filtering tasks.
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