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Create literature_explorer.py
Browse files- literature_explorer.py +605 -0
literature_explorer.py
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| 1 |
+
import os
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| 2 |
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import re
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| 3 |
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import json
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| 4 |
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from typing import Any, Dict, List, Optional, Tuple
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| 5 |
+
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| 6 |
+
import gradio as gr
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| 7 |
+
import numpy as np
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| 8 |
+
import pandas as pd
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| 9 |
+
from pypdf import PdfReader
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| 10 |
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from openai import OpenAI
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| 11 |
+
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| 12 |
+
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| 13 |
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# =============================
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| 14 |
+
# Pilot limits
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| 15 |
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# =============================
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| 16 |
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MAX_PDFS = 5
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| 17 |
+
MAX_PAGES_PER_PDF = 20
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| 18 |
+
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| 19 |
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MAX_CHARS_PER_PAGE_FOR_INDEX = 7000 # cap for cost/stability
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| 20 |
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DEFAULT_EMBEDDING_MODEL = "text-embedding-3-small"
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| 21 |
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DEFAULT_SUMMARY_MODEL = "gpt-4o-mini"
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| 22 |
+
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| 23 |
+
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| 24 |
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# =============================
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| 25 |
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# Endpoint fallback inference lexicon (Explorer-only)
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| 26 |
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# =============================
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| 27 |
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ENDPOINT_HINTS: Dict[str, List[str]] = {
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| 28 |
+
"Genotoxicity (OECD TG)": [
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| 29 |
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"genotoxic", "mutagen", "clastogen", "ames", "micronucleus", "comet assay",
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| 30 |
+
"chromosomal aberration", "dna damage", "oecd tg 471", "tg471", "oecd tg 473", "tg473",
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| 31 |
+
"oecd tg 476", "tg476", "oecd tg 487", "tg487", "oecd tg 490", "tg490",
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| 32 |
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"oecd tg 474", "tg474", "oecd tg 475", "tg475", "oecd tg 488", "tg488",
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| 33 |
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"oecd tg 489", "tg489"
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| 34 |
+
],
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| 35 |
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"NAMs / In Silico": ["in silico", "qsar", "read-across", "aop", "pbpk", "high-throughput", "omics", "organ-on-chip", "microphysiological"],
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| 36 |
+
"Acute toxicity": ["acute toxicity", "ld50", "lc50", "single dose", "mortality", "lethality"],
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| 37 |
+
"Repeated dose toxicity": ["repeated dose", "subchronic", "chronic", "noael", "loael", "28-day", "90-day", "target organ"],
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| 38 |
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"Irritation / Sensitization": ["skin irritation", "eye irritation", "draize", "sensitization", "llna", "patch test"],
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| 39 |
+
"Repro / Developmental": ["reproductive toxicity", "fertility", "developmental toxicity", "teratogen", "prenatal", "postnatal"],
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| 40 |
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"Carcinogenicity": ["carcinogenic", "tumor", "neoplasm", "cancer", "two-year", "bioassay"],
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| 41 |
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}
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| 42 |
+
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| 43 |
+
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| 44 |
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# =============================
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| 45 |
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# Organ inference (automatic only)
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| 46 |
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# =============================
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| 47 |
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ORGANS = ["liver", "lung", "kidney", "skin", "gi", "cns", "reproductive", "immune_blood", "mixed", "unknown"]
|
| 48 |
+
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| 49 |
+
ORGAN_HINTS: Dict[str, List[str]] = {
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| 50 |
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"liver": ["liver", "hepatic", "hepatocyte", "hepatotoxic", "bile", "cholest", "alt", "ast"],
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| 51 |
+
"lung": ["lung", "pulmonary", "bronch", "alveol", "airway", "inhalation", "respiratory"],
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| 52 |
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"kidney": ["kidney", "renal", "nephro", "glomerul", "tubul", "creatinine", "bun"],
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| 53 |
+
"skin": ["skin", "dermal", "epiderm", "cutaneous", "topical"],
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| 54 |
+
"gi": ["gastro", "intestinal", "gut", "colon", "stomach", "oral", "ingestion"],
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| 55 |
+
"cns": ["brain", "cns", "neuro", "neuronal", "glia", "blood-brain", "dopamin", "seroton"],
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| 56 |
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"reproductive": ["repro", "testis", "ovary", "uterus", "placent", "fetus", "embryo", "sperm", "oocyte"],
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| 57 |
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"immune_blood": ["immune", "cytok", "inflamm", "blood", "plasma", "serum", "hemat", "lymph", "macrophage"],
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| 58 |
+
}
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| 59 |
+
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| 60 |
+
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| 61 |
+
def infer_organ_label(doc_text: str) -> str:
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| 62 |
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t = (doc_text or "").lower()
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| 63 |
+
scores = {k: 0 for k in ORGAN_HINTS.keys()}
|
| 64 |
+
for organ, hints in ORGAN_HINTS.items():
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| 65 |
+
for h in hints:
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| 66 |
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if h in t:
|
| 67 |
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scores[organ] += 1
|
| 68 |
+
|
| 69 |
+
best = sorted(scores.items(), key=lambda x: x[1], reverse=True)
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| 70 |
+
if not best or best[0][1] == 0:
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| 71 |
+
return "unknown"
|
| 72 |
+
|
| 73 |
+
# if 2+ organs are close, label mixed
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| 74 |
+
top_org, top_score = best[0]
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| 75 |
+
if len(best) > 1 and best[1][1] > 0 and (top_score - best[1][1]) <= 1:
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| 76 |
+
return "mixed"
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| 77 |
+
return top_org
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| 78 |
+
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| 79 |
+
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| 80 |
+
# =============================
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| 81 |
+
# Curated enzymes by organ (starter list)
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| 82 |
+
# =============================
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| 83 |
+
ENZYMES_BY_ORGAN: Dict[str, List[str]] = {
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| 84 |
+
"liver": ["CYP1A2","CYP2C9","CYP2C19","CYP2D6","CYP2E1","CYP3A4","CYP3A5","UGT1A1","UGT2B7","SULT1A1","GSTA1","GSTP1","ADH","ALDH","CES1","CES2"],
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| 85 |
+
"lung": ["CYP1A1","CYP1B1","CYP2F1","GSTP1","MPO","ALDH"],
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| 86 |
+
"kidney": ["OAT1","OAT3","OCT2","MATE1","MATE2","GSTP1","GSTA1"],
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| 87 |
+
"skin": ["CYP1A1","GSTP1","UGT1A1","SULT1A1","ESTERASE","CES1","CES2"],
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| 88 |
+
"gi": ["CYP3A4","UGT1A1","UGT2B7","SULT1A1","ABCB1","P-GP","CES1","CES2"],
|
| 89 |
+
"cns": ["MAO-A","MAO-B","MAOA","MAOB","COMT","ALDH"],
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| 90 |
+
"reproductive": ["AROMATASE","CYP19A1","HSD17B","CYP17A1","UGT2B7"],
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| 91 |
+
"immune_blood": ["MPO","COX","PTGS1","PTGS2","LOX","ALOX5"],
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| 92 |
+
"mixed": [],
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| 93 |
+
"unknown": [],
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| 94 |
+
}
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| 95 |
+
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| 96 |
+
# conservative regex patterns
|
| 97 |
+
ENZYME_REGEXES = [
|
| 98 |
+
re.compile(r"\bCYP\s?(\d[A-Z]?\d?[A-Z]?\d?)\b", re.IGNORECASE),
|
| 99 |
+
re.compile(r"\bUGT\s?(\d[A-Z0-9]+)\b", re.IGNORECASE),
|
| 100 |
+
re.compile(r"\bSULT\s?(\d[A-Z0-9]+)\b", re.IGNORECASE),
|
| 101 |
+
re.compile(r"\bGST\s?([A-Z0-9]+)\b", re.IGNORECASE),
|
| 102 |
+
re.compile(r"\bEC\s?(\d+\.\d+\.\d+\.\d+)\b", re.IGNORECASE),
|
| 103 |
+
]
|
| 104 |
+
|
| 105 |
+
def detect_enzymes(text: str, organ: str) -> List[str]:
|
| 106 |
+
t = text or ""
|
| 107 |
+
up = t.upper()
|
| 108 |
+
|
| 109 |
+
base = ENZYMES_BY_ORGAN.get(organ, [])
|
| 110 |
+
if organ in ("mixed", "unknown"):
|
| 111 |
+
base = ["CYP3A4","CYP2D6","CYP2E1","UGT1A1","SULT1A1","GSTP1","ALDH","ADH"]
|
| 112 |
+
|
| 113 |
+
out: List[str] = []
|
| 114 |
+
for e in base:
|
| 115 |
+
if e in up:
|
| 116 |
+
out.append(e)
|
| 117 |
+
|
| 118 |
+
# regex enrich
|
| 119 |
+
for rx in ENZYME_REGEXES:
|
| 120 |
+
for m in rx.finditer(t):
|
| 121 |
+
g = (m.group(1) or "").upper()
|
| 122 |
+
if not g:
|
| 123 |
+
continue
|
| 124 |
+
if rx.pattern.lower().startswith(r"\bcyp"):
|
| 125 |
+
v = f"CYP{g}"
|
| 126 |
+
elif rx.pattern.lower().startswith(r"\bugt"):
|
| 127 |
+
v = f"UGT{g}"
|
| 128 |
+
elif rx.pattern.lower().startswith(r"\bsult"):
|
| 129 |
+
v = f"SULT{g}"
|
| 130 |
+
elif rx.pattern.lower().startswith(r"\bgst"):
|
| 131 |
+
v = f"GST{g}"
|
| 132 |
+
else:
|
| 133 |
+
v = f"EC {g}"
|
| 134 |
+
if v not in out:
|
| 135 |
+
out.append(v)
|
| 136 |
+
|
| 137 |
+
# normalize P-gp variants
|
| 138 |
+
out2 = []
|
| 139 |
+
for x in out:
|
| 140 |
+
if x in ("P-GP", "PGP", "PGLYCO"):
|
| 141 |
+
x = "P-gp"
|
| 142 |
+
out2.append(x)
|
| 143 |
+
|
| 144 |
+
# dedupe
|
| 145 |
+
seen = set()
|
| 146 |
+
final = []
|
| 147 |
+
for x in out2:
|
| 148 |
+
k = x.lower()
|
| 149 |
+
if k not in seen:
|
| 150 |
+
seen.add(k)
|
| 151 |
+
final.append(x)
|
| 152 |
+
return final
|
| 153 |
+
|
| 154 |
+
|
| 155 |
+
# =============================
|
| 156 |
+
# Named pathways (starter lexicon)
|
| 157 |
+
# =============================
|
| 158 |
+
PATHWAY_TERMS = [
|
| 159 |
+
"oxidative stress",
|
| 160 |
+
"Nrf2",
|
| 161 |
+
"AhR",
|
| 162 |
+
"NF-kB",
|
| 163 |
+
"p53",
|
| 164 |
+
"MAPK",
|
| 165 |
+
"PPAR",
|
| 166 |
+
"apoptosis",
|
| 167 |
+
"DNA damage response",
|
| 168 |
+
"mitochondrial dysfunction",
|
| 169 |
+
"estrogen receptor",
|
| 170 |
+
"androgen receptor",
|
| 171 |
+
"inflammation",
|
| 172 |
+
"cytokine signaling",
|
| 173 |
+
]
|
| 174 |
+
|
| 175 |
+
PATHWAY_REGEXES = [
|
| 176 |
+
re.compile(r"\boxidative stress\b", re.IGNORECASE),
|
| 177 |
+
re.compile(r"\bNrf2\b", re.IGNORECASE),
|
| 178 |
+
re.compile(r"\bAhR\b", re.IGNORECASE),
|
| 179 |
+
re.compile(r"\bNF[-\s]?κ?B\b", re.IGNORECASE),
|
| 180 |
+
re.compile(r"\bp53\b", re.IGNORECASE),
|
| 181 |
+
re.compile(r"\bMAPK\b", re.IGNORECASE),
|
| 182 |
+
re.compile(r"\bPPAR\b", re.IGNORECASE),
|
| 183 |
+
re.compile(r"\bapoptos(?:is|e|ic)\b", re.IGNORECASE),
|
| 184 |
+
re.compile(r"\bDNA damage response\b", re.IGNORECASE),
|
| 185 |
+
re.compile(r"\bmitochondrial dysfunction\b", re.IGNORECASE),
|
| 186 |
+
re.compile(r"\bestrogen receptor\b", re.IGNORECASE),
|
| 187 |
+
re.compile(r"\bandrogen receptor\b", re.IGNORECASE),
|
| 188 |
+
re.compile(r"\binflammat(?:ion|ory)\b", re.IGNORECASE),
|
| 189 |
+
re.compile(r"\bcytokine signaling\b", re.IGNORECASE),
|
| 190 |
+
]
|
| 191 |
+
|
| 192 |
+
def detect_pathways(text: str) -> List[str]:
|
| 193 |
+
t = text or ""
|
| 194 |
+
out = []
|
| 195 |
+
for rx in PATHWAY_REGEXES:
|
| 196 |
+
if rx.search(t):
|
| 197 |
+
# map to friendly labels
|
| 198 |
+
# simplest: also do direct term scan afterwards
|
| 199 |
+
pass
|
| 200 |
+
tl = t.lower()
|
| 201 |
+
for term in PATHWAY_TERMS:
|
| 202 |
+
if term.lower() in tl:
|
| 203 |
+
out.append(term)
|
| 204 |
+
# ensure NF-kB catch even if κ symbol etc
|
| 205 |
+
if re.search(r"\bNF[-\s]?κ?B\b", t, flags=re.IGNORECASE) and "NF-kB" not in out:
|
| 206 |
+
out.append("NF-kB")
|
| 207 |
+
|
| 208 |
+
# dedupe preserve order
|
| 209 |
+
seen = set()
|
| 210 |
+
final = []
|
| 211 |
+
for x in out:
|
| 212 |
+
k = x.lower()
|
| 213 |
+
if k not in seen:
|
| 214 |
+
seen.add(k)
|
| 215 |
+
final.append(x)
|
| 216 |
+
return final
|
| 217 |
+
|
| 218 |
+
|
| 219 |
+
# =============================
|
| 220 |
+
# PDF utils
|
| 221 |
+
# =============================
|
| 222 |
+
def extract_pages(pdf_path: str, max_pages: int) -> Tuple[List[Tuple[int, str]], int]:
|
| 223 |
+
reader = PdfReader(pdf_path)
|
| 224 |
+
total = len(reader.pages)
|
| 225 |
+
n = min(total, max_pages)
|
| 226 |
+
pages: List[Tuple[int, str]] = []
|
| 227 |
+
for i in range(n):
|
| 228 |
+
try:
|
| 229 |
+
txt = reader.pages[i].extract_text() or ""
|
| 230 |
+
except Exception:
|
| 231 |
+
txt = ""
|
| 232 |
+
pages.append((i + 1, txt))
|
| 233 |
+
return pages, total
|
| 234 |
+
|
| 235 |
+
def clean_text(t: str) -> str:
|
| 236 |
+
t = (t or "").replace("\x00", " ")
|
| 237 |
+
t = re.sub(r"\s+", " ", t).strip()
|
| 238 |
+
return t
|
| 239 |
+
|
| 240 |
+
def is_text_based(pages: List[Tuple[int, str]]) -> bool:
|
| 241 |
+
joined = " ".join([clean_text(t) for _, t in pages if clean_text(t)])
|
| 242 |
+
return len(joined) >= 200
|
| 243 |
+
|
| 244 |
+
|
| 245 |
+
# =============================
|
| 246 |
+
# OpenAI helpers
|
| 247 |
+
# =============================
|
| 248 |
+
def get_client(api_key: str) -> OpenAI:
|
| 249 |
+
key = (api_key or "").strip() or os.getenv("OPENAI_API_KEY", "").strip()
|
| 250 |
+
if not key:
|
| 251 |
+
raise ValueError("Missing OpenAI API key. Provide it here or set OPENAI_API_KEY secret.")
|
| 252 |
+
return OpenAI(api_key=key)
|
| 253 |
+
|
| 254 |
+
def batched(xs: List[Any], n: int) -> List[List[Any]]:
|
| 255 |
+
return [xs[i:i+n] for i in range(0, len(xs), n)]
|
| 256 |
+
|
| 257 |
+
def embed_texts(client: OpenAI, model: str, texts: List[str]) -> np.ndarray:
|
| 258 |
+
embs: List[List[float]] = []
|
| 259 |
+
for b in batched(texts, 64):
|
| 260 |
+
resp = client.embeddings.create(model=model, input=b)
|
| 261 |
+
for item in resp.data:
|
| 262 |
+
embs.append(item.embedding)
|
| 263 |
+
arr = np.array(embs, dtype=np.float32)
|
| 264 |
+
norms = np.linalg.norm(arr, axis=1, keepdims=True) + 1e-12
|
| 265 |
+
return arr / norms
|
| 266 |
+
|
| 267 |
+
|
| 268 |
+
# =============================
|
| 269 |
+
# Endpoint detection
|
| 270 |
+
# =============================
|
| 271 |
+
def detect_endpoints(text: str) -> List[str]:
|
| 272 |
+
t = (text or "").lower()
|
| 273 |
+
found: List[str] = []
|
| 274 |
+
for ep, hints in ENDPOINT_HINTS.items():
|
| 275 |
+
for h in hints:
|
| 276 |
+
if h in t:
|
| 277 |
+
found.append(ep)
|
| 278 |
+
break
|
| 279 |
+
return found
|
| 280 |
+
|
| 281 |
+
|
| 282 |
+
# =============================
|
| 283 |
+
# "3–5 lines" expanded context = 3–5 sentences (PDF lines unreliable)
|
| 284 |
+
# =============================
|
| 285 |
+
def split_sentences(text: str) -> List[str]:
|
| 286 |
+
t = re.sub(r"\s+", " ", (text or "")).strip()
|
| 287 |
+
if not t:
|
| 288 |
+
return []
|
| 289 |
+
parts = re.split(r"(?<=[\.\?\!])\s+", t)
|
| 290 |
+
return [p.strip() for p in parts if p.strip()]
|
| 291 |
+
|
| 292 |
+
def expanded_context(page_text: str, query: str, n_sentences: int = 5) -> str:
|
| 293 |
+
sents = split_sentences(page_text)
|
| 294 |
+
if not sents:
|
| 295 |
+
return ""
|
| 296 |
+
q = (query or "").strip().lower()
|
| 297 |
+
if not q:
|
| 298 |
+
return " ".join(sents[:n_sentences])
|
| 299 |
+
|
| 300 |
+
qwords = [w for w in re.findall(r"[a-zA-Z0-9\-]+", q) if len(w) >= 3]
|
| 301 |
+
hit_i = None
|
| 302 |
+
for i, s in enumerate(sents):
|
| 303 |
+
sl = s.lower()
|
| 304 |
+
if any(w in sl for w in qwords):
|
| 305 |
+
hit_i = i
|
| 306 |
+
break
|
| 307 |
+
if hit_i is None:
|
| 308 |
+
return " ".join(sents[:n_sentences])
|
| 309 |
+
|
| 310 |
+
start = max(0, hit_i - 2)
|
| 311 |
+
end = min(len(sents), hit_i + 3)
|
| 312 |
+
return " ".join(sents[start:end])
|
| 313 |
+
|
| 314 |
+
|
| 315 |
+
# =============================
|
| 316 |
+
# Index state object (stored in gr.State)
|
| 317 |
+
# =============================
|
| 318 |
+
def empty_index() -> Dict[str, Any]:
|
| 319 |
+
return {
|
| 320 |
+
"papers": [], # {paper_id, file, organ, pages_indexed, text_based}
|
| 321 |
+
"pages": [], # {paper_id, file, page, text, endpoints, enzymes, pathways}
|
| 322 |
+
"embeddings": None, # np.ndarray normalized
|
| 323 |
+
"embedding_model": None,
|
| 324 |
+
"has_embeddings": False,
|
| 325 |
+
"enzymes_vocab": [],
|
| 326 |
+
"pathways_vocab": [],
|
| 327 |
+
}
|
| 328 |
+
|
| 329 |
+
|
| 330 |
+
def build_index(files, api_key: str, embedding_model: str):
|
| 331 |
+
if not files:
|
| 332 |
+
return empty_index(), pd.DataFrame(), pd.DataFrame(), "Upload PDFs then click Build Search Index.", gr.update(choices=[]), gr.update(choices=[])
|
| 333 |
+
|
| 334 |
+
if len(files) > MAX_PDFS:
|
| 335 |
+
return empty_index(), pd.DataFrame(), pd.DataFrame(), f"Upload limit exceeded: max {MAX_PDFS} PDFs for pilot.", gr.update(choices=[]), gr.update(choices=[])
|
| 336 |
+
|
| 337 |
+
idx = empty_index()
|
| 338 |
+
papers_rows: List[Dict[str, Any]] = []
|
| 339 |
+
page_rows: List[Dict[str, Any]] = []
|
| 340 |
+
|
| 341 |
+
for f in files:
|
| 342 |
+
pdf_path = f.name
|
| 343 |
+
filename = os.path.basename(pdf_path)
|
| 344 |
+
pages, total = extract_pages(pdf_path, MAX_PAGES_PER_PDF)
|
| 345 |
+
text_ok = is_text_based(pages)
|
| 346 |
+
|
| 347 |
+
doc_text = " ".join([clean_text(t) for _, t in pages if clean_text(t)])
|
| 348 |
+
organ = infer_organ_label(doc_text) if text_ok else "unknown"
|
| 349 |
+
|
| 350 |
+
paper_id = filename
|
| 351 |
+
papers_rows.append({
|
| 352 |
+
"paper_id": paper_id,
|
| 353 |
+
"file": filename,
|
| 354 |
+
"organ": organ,
|
| 355 |
+
"pages_indexed": min(total, MAX_PAGES_PER_PDF),
|
| 356 |
+
"text_based": bool(text_ok),
|
| 357 |
+
})
|
| 358 |
+
|
| 359 |
+
if not text_ok:
|
| 360 |
+
continue
|
| 361 |
+
|
| 362 |
+
for pno, raw in pages:
|
| 363 |
+
txt = clean_text(raw)
|
| 364 |
+
if not txt:
|
| 365 |
+
continue
|
| 366 |
+
txt = txt[:MAX_CHARS_PER_PAGE_FOR_INDEX]
|
| 367 |
+
|
| 368 |
+
eps = detect_endpoints(txt)
|
| 369 |
+
enz = detect_enzymes(txt, organ)
|
| 370 |
+
pws = detect_pathways(txt)
|
| 371 |
+
|
| 372 |
+
page_rows.append({
|
| 373 |
+
"paper_id": paper_id,
|
| 374 |
+
"file": filename,
|
| 375 |
+
"page": pno,
|
| 376 |
+
"text": txt,
|
| 377 |
+
"endpoints": eps,
|
| 378 |
+
"enzymes": enz,
|
| 379 |
+
"pathways": pws,
|
| 380 |
+
})
|
| 381 |
+
|
| 382 |
+
idx["papers"] = papers_rows
|
| 383 |
+
idx["pages"] = page_rows
|
| 384 |
+
|
| 385 |
+
papers_df = pd.DataFrame(papers_rows, columns=["file","organ","pages_indexed","text_based"])
|
| 386 |
+
|
| 387 |
+
# Endpoint × Paper matrix (counts of pages mentioning each endpoint)
|
| 388 |
+
matrix = []
|
| 389 |
+
endpoint_names = list(ENDPOINT_HINTS.keys())
|
| 390 |
+
for p in papers_rows:
|
| 391 |
+
if not p.get("text_based"):
|
| 392 |
+
continue
|
| 393 |
+
pid = p["paper_id"]
|
| 394 |
+
row = {"file": p["file"], "organ": p["organ"]}
|
| 395 |
+
p_pages = [r for r in page_rows if r["paper_id"] == pid]
|
| 396 |
+
for ep in endpoint_names:
|
| 397 |
+
row[ep] = sum(1 for r in p_pages if ep in (r.get("endpoints") or []))
|
| 398 |
+
matrix.append(row)
|
| 399 |
+
endpoint_matrix_df = pd.DataFrame(matrix) if matrix else pd.DataFrame(columns=["file","organ"] + endpoint_names)
|
| 400 |
+
|
| 401 |
+
# vocab lists for filters (computed at indexing time)
|
| 402 |
+
enzymes_vocab = sorted({e for r in page_rows for e in (r.get("enzymes") or [])})
|
| 403 |
+
pathways_vocab = sorted({p for r in page_rows for p in (r.get("pathways") or [])})
|
| 404 |
+
idx["enzymes_vocab"] = enzymes_vocab
|
| 405 |
+
idx["pathways_vocab"] = pathways_vocab
|
| 406 |
+
|
| 407 |
+
# embeddings
|
| 408 |
+
status = "✅ Indexed pages locally (no embeddings)."
|
| 409 |
+
try:
|
| 410 |
+
client = get_client(api_key)
|
| 411 |
+
texts = [r["text"] for r in page_rows]
|
| 412 |
+
if texts:
|
| 413 |
+
em = embed_texts(client, embedding_model or DEFAULT_EMBEDDING_MODEL, texts)
|
| 414 |
+
idx["embeddings"] = em
|
| 415 |
+
idx["embedding_model"] = embedding_model or DEFAULT_EMBEDDING_MODEL
|
| 416 |
+
idx["has_embeddings"] = True
|
| 417 |
+
status = f"✅ Indexed {len(papers_rows)} paper(s), {len(texts)} page(s). Embeddings built ({idx['embedding_model']})."
|
| 418 |
+
else:
|
| 419 |
+
status = "⚠️ No text pages found to index (text-based PDFs only)."
|
| 420 |
+
except Exception as e:
|
| 421 |
+
status = f"⚠️ Indexed pages, but embeddings unavailable: {e}. You can still run search with fallback ranking."
|
| 422 |
+
|
| 423 |
+
return (
|
| 424 |
+
idx,
|
| 425 |
+
papers_df,
|
| 426 |
+
endpoint_matrix_df,
|
| 427 |
+
status,
|
| 428 |
+
gr.update(choices=[""] + enzymes_vocab, value=""),
|
| 429 |
+
gr.update(choices=[""] + pathways_vocab, value="")
|
| 430 |
+
)
|
| 431 |
+
|
| 432 |
+
|
| 433 |
+
def search(
|
| 434 |
+
query: str,
|
| 435 |
+
idx: Dict[str, Any],
|
| 436 |
+
api_key: str,
|
| 437 |
+
embedding_model: str,
|
| 438 |
+
summary_model: str,
|
| 439 |
+
endpoint_filter: List[str],
|
| 440 |
+
organ_filter: str,
|
| 441 |
+
enzyme_filter: str,
|
| 442 |
+
pathway_filter: str,
|
| 443 |
+
top_k: int,
|
| 444 |
+
):
|
| 445 |
+
query = (query or "").strip()
|
| 446 |
+
if not query:
|
| 447 |
+
return pd.DataFrame(), "### Grounded mini-summary\n(type a query)", "### Evidence used\n"
|
| 448 |
+
|
| 449 |
+
if not idx or not idx.get("pages"):
|
| 450 |
+
return pd.DataFrame(), "### Grounded mini-summary\n(Build the index first)", "### Evidence used\n"
|
| 451 |
+
|
| 452 |
+
pages = idx["pages"]
|
| 453 |
+
papers = {p["paper_id"]: p for p in (idx.get("papers") or [])}
|
| 454 |
+
|
| 455 |
+
def passes(r: Dict[str, Any]) -> bool:
|
| 456 |
+
if organ_filter and organ_filter != "any":
|
| 457 |
+
org = (papers.get(r["paper_id"], {}) or {}).get("organ", "unknown")
|
| 458 |
+
if org != organ_filter:
|
| 459 |
+
return False
|
| 460 |
+
if endpoint_filter:
|
| 461 |
+
eps = r.get("endpoints") or []
|
| 462 |
+
if not any(e in eps for e in endpoint_filter):
|
| 463 |
+
return False
|
| 464 |
+
if enzyme_filter:
|
| 465 |
+
enz = r.get("enzymes") or []
|
| 466 |
+
if enzyme_filter not in enz:
|
| 467 |
+
return False
|
| 468 |
+
if pathway_filter:
|
| 469 |
+
pws = r.get("pathways") or []
|
| 470 |
+
if pathway_filter not in pws:
|
| 471 |
+
return False
|
| 472 |
+
return True
|
| 473 |
+
|
| 474 |
+
filtered_idx = [i for i, r in enumerate(pages) if passes(r)]
|
| 475 |
+
if not filtered_idx:
|
| 476 |
+
return pd.DataFrame(), "### Grounded mini-summary\n(No pages match your filters)", "### Evidence used\n"
|
| 477 |
+
|
| 478 |
+
ranked: List[Tuple[float, Dict[str, Any]]] = []
|
| 479 |
+
|
| 480 |
+
# embeddings path
|
| 481 |
+
if idx.get("has_embeddings") and idx.get("embeddings") is not None:
|
| 482 |
+
try:
|
| 483 |
+
client = get_client(api_key)
|
| 484 |
+
qemb = embed_texts(client, embedding_model or idx.get("embedding_model") or DEFAULT_EMBEDDING_MODEL, [query])[0]
|
| 485 |
+
mat = idx["embeddings"][filtered_idx, :]
|
| 486 |
+
scores = mat @ qemb
|
| 487 |
+
order = np.argsort(scores)[::-1][:max(1, int(top_k))]
|
| 488 |
+
for j in order:
|
| 489 |
+
page_i = filtered_idx[int(j)]
|
| 490 |
+
ranked.append((float(scores[int(j)]), pages[page_i]))
|
| 491 |
+
except Exception:
|
| 492 |
+
ranked = []
|
| 493 |
+
|
| 494 |
+
# fallback ranking
|
| 495 |
+
if not ranked:
|
| 496 |
+
qwords = set([w for w in re.findall(r"[a-zA-Z0-9\-]+", query.lower()) if len(w) >= 3])
|
| 497 |
+
tmp = []
|
| 498 |
+
for i in filtered_idx:
|
| 499 |
+
t = (pages[i].get("text") or "").lower()
|
| 500 |
+
hits = sum(1 for w in qwords if w in t)
|
| 501 |
+
tmp.append((hits, pages[i]))
|
| 502 |
+
tmp.sort(key=lambda x: x[0], reverse=True)
|
| 503 |
+
ranked = [(float(h), r) for h, r in tmp[:max(1, int(top_k))]]
|
| 504 |
+
|
| 505 |
+
rows = []
|
| 506 |
+
evidence = []
|
| 507 |
+
for score, r in ranked:
|
| 508 |
+
pid = r["paper_id"]
|
| 509 |
+
org = (papers.get(pid, {}) or {}).get("organ", "unknown")
|
| 510 |
+
ctx = expanded_context(r.get("text", ""), query, n_sentences=5)
|
| 511 |
+
|
| 512 |
+
rows.append({
|
| 513 |
+
"file": r.get("file",""),
|
| 514 |
+
"page": r.get("page",""),
|
| 515 |
+
"score": round(score, 4),
|
| 516 |
+
"organ": org,
|
| 517 |
+
"endpoints": "; ".join(r.get("endpoints") or []),
|
| 518 |
+
"enzymes": "; ".join((r.get("enzymes") or [])[:12]),
|
| 519 |
+
"pathways": "; ".join((r.get("pathways") or [])[:12]),
|
| 520 |
+
"context": ctx
|
| 521 |
+
})
|
| 522 |
+
|
| 523 |
+
snippet = ctx[:360] + ("…" if len(ctx) > 360 else "")
|
| 524 |
+
evidence.append(f"- **{r.get('file','')}** (p.{r.get('page','')}): {snippet}")
|
| 525 |
+
|
| 526 |
+
results_df = pd.DataFrame(rows, columns=["file","page","score","organ","endpoints","enzymes","pathways","context"])
|
| 527 |
+
evidence_md = "### Evidence used\n" + "\n".join(evidence[:8])
|
| 528 |
+
|
| 529 |
+
# grounded mini-summary
|
| 530 |
+
mini_summary = "(mini-summary unavailable)"
|
| 531 |
+
try:
|
| 532 |
+
client = get_client(api_key)
|
| 533 |
+
payload = [{"file": x["file"], "page": x["page"], "context": x["context"]} for x in rows[:8]]
|
| 534 |
+
|
| 535 |
+
system_msg = (
|
| 536 |
+
"You are a literature assistant for toxicology researchers. "
|
| 537 |
+
"Write ONE neutral paragraph that answers the user's query based ONLY on the evidence excerpts. "
|
| 538 |
+
"Cite sources inline as (File p.X). Do not add outside facts."
|
| 539 |
+
)
|
| 540 |
+
user_msg = "USER QUERY:\n" + query + "\n\nEVIDENCE EXCERPTS:\n" + json.dumps(payload, indent=2)
|
| 541 |
+
resp = client.responses.create(
|
| 542 |
+
model=summary_model or DEFAULT_SUMMARY_MODEL,
|
| 543 |
+
input=[{"role":"system","content":system_msg},{"role":"user","content":user_msg}]
|
| 544 |
+
)
|
| 545 |
+
mini_summary = resp.output_text.strip()
|
| 546 |
+
except Exception as e:
|
| 547 |
+
mini_summary = f"(mini-summary unavailable: {e})"
|
| 548 |
+
|
| 549 |
+
mini_md = "### Grounded mini-summary\n" + mini_summary
|
| 550 |
+
return results_df, mini_md, evidence_md
|
| 551 |
+
|
| 552 |
+
|
| 553 |
+
# =============================
|
| 554 |
+
# Tab plugin (Option A)
|
| 555 |
+
# =============================
|
| 556 |
+
def build_literature_explorer_tab():
|
| 557 |
+
gr.Markdown(
|
| 558 |
+
"## Literature Explorer (Pilot)\n"
|
| 559 |
+
f"- Limits: **max {MAX_PDFS} PDFs**, **max {MAX_PAGES_PER_PDF} pages/PDF**\n"
|
| 560 |
+
"- Text-based PDFs only (not scanned/image PDFs).\n"
|
| 561 |
+
"- Semantic search is page-level; “3–5 lines context” is approximated as **3–5 sentences**.\n"
|
| 562 |
+
)
|
| 563 |
+
|
| 564 |
+
idx_state = gr.State(empty_index())
|
| 565 |
+
|
| 566 |
+
with gr.Group():
|
| 567 |
+
files = gr.File(label="Upload PDFs (Explorer only)", file_types=[".pdf"], file_count="multiple")
|
| 568 |
+
with gr.Row():
|
| 569 |
+
api_key = gr.Textbox(label="OpenAI API key (Explorer)", type="password")
|
| 570 |
+
embedding_model = gr.Dropdown(label="Embedding model", choices=["text-embedding-3-small","text-embedding-3-large"], value=DEFAULT_EMBEDDING_MODEL)
|
| 571 |
+
summary_model = gr.Dropdown(label="Mini-summary model", choices=["gpt-4o-mini","gpt-4o","gpt-4o-2024-08-06"], value=DEFAULT_SUMMARY_MODEL)
|
| 572 |
+
|
| 573 |
+
build_btn = gr.Button("Build Search Index", variant="primary")
|
| 574 |
+
index_status = gr.Textbox(label="Index status", interactive=False)
|
| 575 |
+
papers_df = gr.Dataframe(label="Indexed papers", interactive=False, wrap=True)
|
| 576 |
+
endpoint_matrix_df = gr.Dataframe(label="Endpoint correlation (pages per endpoint per paper)", interactive=False, wrap=True)
|
| 577 |
+
|
| 578 |
+
with gr.Group():
|
| 579 |
+
gr.Markdown("### Search across indexed papers")
|
| 580 |
+
query = gr.Textbox(label="Search query", placeholder="e.g., CYP3A4 oxidative stress and genotoxicity", lines=2)
|
| 581 |
+
|
| 582 |
+
with gr.Row():
|
| 583 |
+
endpoint_filter = gr.Dropdown(label="Endpoint filter (optional)", choices=list(ENDPOINT_HINTS.keys()), multiselect=True, value=[])
|
| 584 |
+
organ_filter = gr.Dropdown(label="Organ filter (optional)", choices=["any"] + ORGANS, value="any")
|
| 585 |
+
enzyme_filter = gr.Dropdown(label="Enzyme filter (optional)", choices=[""], value="")
|
| 586 |
+
pathway_filter = gr.Dropdown(label="Pathway filter (optional)", choices=[""], value="")
|
| 587 |
+
|
| 588 |
+
top_k = gr.Slider(5, 30, value=12, step=1, label="Top results")
|
| 589 |
+
search_btn = gr.Button("Search", variant="secondary")
|
| 590 |
+
|
| 591 |
+
mini_summary_md = gr.Markdown()
|
| 592 |
+
results_df = gr.Dataframe(label="Search results (page-level)", interactive=False, wrap=True)
|
| 593 |
+
evidence_md = gr.Markdown()
|
| 594 |
+
|
| 595 |
+
build_btn.click(
|
| 596 |
+
fn=build_index,
|
| 597 |
+
inputs=[files, api_key, embedding_model],
|
| 598 |
+
outputs=[idx_state, papers_df, endpoint_matrix_df, index_status, enzyme_filter, pathway_filter]
|
| 599 |
+
)
|
| 600 |
+
|
| 601 |
+
search_btn.click(
|
| 602 |
+
fn=search,
|
| 603 |
+
inputs=[query, idx_state, api_key, embedding_model, summary_model, endpoint_filter, organ_filter, enzyme_filter, pathway_filter, top_k],
|
| 604 |
+
outputs=[results_df, mini_summary_md, evidence_md]
|
| 605 |
+
)
|