Data · dataset · 2026
Code and data for: Multi-scale computational dissection of the traditional Chinese medicine formula Qibiyin reveals a dual AR/AKT1 axis for reversing enzalutamide resistance in prostate cancer
Listed in ScienceDB
Description
Analysis code and intermediate data accompanying the manuscript "Multi-scalecomputational dissection of the traditional Chinese medicine formula Qibiyinreveals a dual AR/AKT1 axis for reversing enzalutamide resistance in prostatecancer".The package contains: (i) all analysis scripts organized into nine modules(raw-data MS/MS fragment re-matching; network pharmacology with ChEMBL andBATMAN-TCM; molecular docking; three-replicate 100-ns molecular dynamicssimulations with MM-GBSA; TCGA-PRAD and MSKCC/GSE21032 clinical cohort analyseswith random-forest/SHAP; PPI structural virtual knockout and Boolean modeling;single-cell analyses including scTenifoldKnk-style virtual knockout onGSE168668; public validation against
Project
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Score CRISPR, LINCS L1000 and theHuman Protein Atlas; figure generation); and (ii) key intermediate data tables,including the curated identification evidence for the 49 blood-absorbedprototype components of Qibiyin (manuscript Supplementary Table S1),per-replicate MD trajectory metrics, compound-target networks, docking scores,clinical-cohort statistics and single-cell perturbation results.Public datasets are not redistributed; accession numbers and versions are listedin README.md inside the package.
Code is released under the MIT license; datatables under CC BY 4.0.
Links
Where it is published
- DOI doi.org/10.57760/sciencedb.012eq ↗
DOI / persistent id · from scidb cn
Catalogue records · 1
- OAI-PMH record scidb.cn/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=10.57760%2… ↗
metadata API · from scidb cn
Topics
- From keywords
- Earth & Environmental Science · Engineering · Humanities · Life Sciences · Medicine & Health · Social Science
- Inferred from text
- Cancer 75% · Oncology and carcinogenesis 71% · Tabular 65%
Provenance · 1 source records, 14 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| ScienceDB | 10.57760/sciencedb.012eq | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[disease].local:disease:cancer | enrichment · scidb cn | keyword-concept-rules@1.0.0 | title+description (75%) |
| concepts[field].anzsrc:group:3211 | enrichment · scidb cn | taxonomy-embedding@1.0.0 | title+keywords+description (71%) |
| concepts[field].local:field:earth-environmental | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:engineering | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:humanities | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:social-science | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[modality].local:modality:tabular | enrichment · scidb cn | keyword-concept-rules@1.0.0 | title+description (65%) |
| description | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/description |
| license | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/rights |
| publication_date | source · scidb cn | connector:scidb_cn@1.0.0 | |
| title | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/title |