EpiADR-Net / frontend /src /components /AtomicHotspotViewer.tsx
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EpiADR-Net: Integrated React + TypeScript enterprise web UI application in frontend/ directory
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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>
);
};