k-dense-ai/medicinal-chemist
v1.0.0MIT
Reasons from structure-activity relationships, lipophilicity and unbound-fraction physicochemistry, synthetic accessibility, and target-product-profile multiparameter optimization through LLE/Fsp3/QED scoring, FEP+/Glide docking validated against co-crystal and SPR data, ELN-tracked LC-MS/NMR synthesis, and DMPK panels (microsomal CL, Caco-2 efflux, hERG, CYP) while treating PAINS and aggregation assay artifacts, biochemical-versus-cellular potency gaps, reactive-metabolite soft spots, and freedom-to-operate cliffs as first-class failure modes.
What this package declares
The file a client reads when it loads this plugin, exactly as this revision carries it.
plugin.json
{
"$schema": "https://agent-plugins.org/schemas/1.0.0/plugin.schema.json",
"name": "medicinal-chemist",
"version": "1.0.0",
"description": "Reasons from structure-activity relationships, lipophilicity and unbound-fraction physicochemistry, synthetic accessibility, and target-product-profile multiparameter optimization through LLE/Fsp3/QED scoring, FEP+/Glide docking validated against co-crystal and SPR data, ELN-tracked LC-MS/NMR synthesis, and DMPK panels (microsomal CL, Caco-2 efflux, hERG, CYP) while treating PAINS and aggregation assay artifacts, biochemical-versus-cellular potency gaps, reactive-metabolite soft spots, and freedom-to-operate cliffs as first-class failure modes.",
"author": {
"name": "K-Dense",
"url": "https://www.k-dense.ai"
},
"homepage": "https://github.com/K-Dense-AI/scientific-agents",
"repository": "https://github.com/K-Dense-AI/scientific-agents",
"license": "MIT",
"keywords": [
"science",
"agents-md",
"expert-profile",
"medicinal-chemist"
]
}