DrugSynth AI / MitoCorex: Consolidated Research Data Package for AI-Driven Mitochondrial Drug Discovery
收藏DataONE2026-04-03 更新2026-05-19 收录
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资源简介:
10 manuscripts covering computational drug discovery for mitochondrial disease as proof-of-concept Consolidated research data package for the DrugSynth AI computational drug discovery platform validated on mitochondrial disease (MitoCorex). This deposit integrates 10 manuscript datasets covering the complete pipeline from genetic variant identification through pharmacologically validated candidate molecules. Contents include 25 characterized mitochondrial targets, 201 curated bioactive compounds, 15 de novo designed candidate molecules across 4 rescue mechanism classes, in silico validation results (11/15 pass rate, 73%), 90 privileged fragment scaffolds (50% novel vs ChEMBL), pathway network data, binding pocket characterizations, ADMET baseline profiles, and platform performance benchmarks. All data provided as PREPRINT versions with novel compound SMILES restricted pending non-provisional patent filing. Individual per-manuscript data deposits are available at Zenodo (10 DOIs). Patent pending: US Provisional Application 64/018,624, filed March 27, 2026. Platform live at drugsynth.ai.
创建时间:
2026-04-10



