DrugSynth AI: An Artificial Intelligence Pipeline for De Novo Molecule Design Targeting Genetically Defined Mitochondrial Defects

Data deposit accompanying the manuscript: "DrugSynth AI: An Artificial Intelligence Pipeline for De Novo Molecule Design Targeting Genetically Defined Mitochondrial Defects." This dataset contains performance benchmark data for the DrugSynth AI computational drug design platform, including stage completion metrics, candidate generation throughput, validation pass rates, and comparative benchmarks against published computational drug design tools. Benchmark metrics report what the platform produces (candidate counts, pass rates, execution times) without disclosing how the platform operates internally. Patent pending: US Provisional Application 64/018,624, filed March 27, 2026. This deposit contains performance benchmark data only. Platform architecture, scoring algorithms, and implementation details are protected by the referenced patent application. Manuscript series: DrugSynth AI / MitoCorex — Computational Drug Discovery for Mitochondrial Diseases (10 manuscripts).