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Running on Zero
Running on Zero
ADjayantan
EpiADR-Net: Integrated React + TypeScript enterprise web UI application in frontend/ directory
654bfe6 | import React from 'react'; | |
| import { AtomicHotspot, ToxicityPredictionResult } from '../types'; | |
| import { Layers, Sparkles, AlertCircle, ShieldAlert, Eye } from 'lucide-react'; | |
| interface AtomicHotspotViewerProps { | |
| prediction: ToxicityPredictionResult; | |
| } | |
| export const AtomicHotspotViewer: React.FC<AtomicHotspotViewerProps> = ({ prediction }) => { | |
| return ( | |
| <div className="bg-slate-900 border border-slate-800 rounded-2xl p-5 shadow-sm space-y-6"> | |
| {/* Header */} | |
| <div className="flex flex-col md:flex-row justify-between items-start md:items-center pb-3 border-b border-slate-800 gap-2"> | |
| <div className="flex items-center space-x-3"> | |
| <div className="p-2 bg-indigo-950 border border-indigo-800 rounded-xl"> | |
| <Layers className="w-5 h-5 text-indigo-400" /> | |
| </div> | |
| <div> | |
| <h2 className="text-base font-bold text-white"> | |
| Explainable AI (XAI): Atomic Toxicity Hotspot Mapping | |
| </h2> | |
| <p className="text-xs text-slate-400"> | |
| Graph Attention Weights α_ij highlight toxicophore functional groups contributing to organ risks. | |
| </p> | |
| </div> | |
| </div> | |
| <span className="text-xs font-mono bg-slate-950 border border-slate-800 text-indigo-300 px-3 py-1 rounded-lg"> | |
| Query: {prediction.compoundName} | |
| </span> | |
| </div> | |
| {/* SMILES Interactive Chemical Hotspot Bar */} | |
| <div className="bg-slate-950 p-4 rounded-xl border border-slate-800 space-y-3"> | |
| <div className="flex justify-between items-center text-xs"> | |
| <span className="font-semibold text-slate-400">Atomic Attention Heatmap (Graph Transformer Layer)</span> | |
| <span className="text-[11px] text-slate-500 font-mono">Higher Attention = Higher Toxicity Weight</span> | |
| </div> | |
| {/* Atom Badges */} | |
| <div className="flex flex-wrap gap-1.5 p-3 bg-slate-900 rounded-lg border border-slate-800/80"> | |
| {prediction.atomicHotspots.map((atom) => { | |
| let bgClass = 'bg-slate-800 text-slate-300 border-slate-700'; | |
| if (atom.attentionWeight >= 0.6) bgClass = 'bg-rose-950 text-rose-200 border-rose-700 font-bold animate-pulse'; | |
| else if (atom.attentionWeight >= 0.4) bgClass = 'bg-amber-950 text-amber-200 border-amber-700'; | |
| else if (atom.attentionWeight >= 0.25) bgClass = 'bg-indigo-950 text-indigo-200 border-indigo-700'; | |
| return ( | |
| <div | |
| key={atom.atomIndex} | |
| className={`px-2.5 py-1 rounded-md border text-xs font-mono flex items-center space-x-1 ${bgClass}`} | |
| title={`Atom #${atom.atomIndex} (${atom.symbol}): Attention Weight = ${atom.attentionWeight}`} | |
| > | |
| <span>{atom.symbol}</span> | |
| <span className="text-[9px] opacity-75">#{atom.atomIndex}</span> | |
| <span className="text-[10px] font-bold">({atom.attentionWeight})</span> | |
| </div> | |
| ); | |
| })} | |
| </div> | |
| </div> | |
| {/* Identified Toxicophore Functional Groups */} | |
| <div className="space-y-3"> | |
| <h3 className="text-sm font-bold text-white flex items-center space-x-2"> | |
| <ShieldAlert className="w-4 h-4 text-amber-400" /> | |
| <span>Structural Toxicophores Detected</span> | |
| </h3> | |
| <div className="grid grid-cols-1 md:grid-cols-3 gap-3"> | |
| {prediction.toxicophores.map((tox, idx) => ( | |
| <div key={idx} className="bg-slate-950 p-3 rounded-xl border border-slate-800 space-y-1"> | |
| <span className="text-xs font-bold text-amber-300 block">{tox}</span> | |
| <p className="text-[11px] text-slate-400"> | |
| Key contributor to phase I reactive metabolite generation or off-target ion channel block. | |
| </p> | |
| </div> | |
| ))} | |
| </div> | |
| </div> | |
| </div> | |
| ); | |
| }; | |