引入最新数据&预先修复数据错误&将luminescence为0的分布数据统一为0

.hooks/post-checkout

@@ -0,0 +1,3 @@
+#!/bin/sh
+command -v git-lfs >/dev/null 2>&1 || { printf >&2 "\n%s\n\n" "This repository is configured for Git LFS but 'git-lfs' was not found on your path. If you no longer wish to use Git LFS, remove this hook by deleting the 'post-checkout' file in the hooks directory (set by 'core.hookspath'; usually '.git/hooks')."; exit 2; }
+git lfs post-checkout "$@"

.hooks/post-commit

@@ -0,0 +1,3 @@
+#!/bin/sh
+command -v git-lfs >/dev/null 2>&1 || { printf >&2 "\n%s\n\n" "This repository is configured for Git LFS but 'git-lfs' was not found on your path. If you no longer wish to use Git LFS, remove this hook by deleting the 'post-commit' file in the hooks directory (set by 'core.hookspath'; usually '.git/hooks')."; exit 2; }
+git lfs post-commit "$@"

.hooks/post-merge

@@ -0,0 +1,3 @@
+#!/bin/sh
+command -v git-lfs >/dev/null 2>&1 || { printf >&2 "\n%s\n\n" "This repository is configured for Git LFS but 'git-lfs' was not found on your path. If you no longer wish to use Git LFS, remove this hook by deleting the 'post-merge' file in the hooks directory (set by 'core.hookspath'; usually '.git/hooks')."; exit 2; }
+git lfs post-merge "$@"

.hooks/pre-push

@@ -0,0 +1,3 @@
+#!/bin/sh
+command -v git-lfs >/dev/null 2>&1 || { printf >&2 "\n%s\n\n" "This repository is configured for Git LFS but 'git-lfs' was not found on your path. If you no longer wish to use Git LFS, remove this hook by deleting the 'pre-push' file in the hooks directory (set by 'core.hookspath'; usually '.git/hooks')."; exit 2; }
+git lfs pre-push "$@"

Makefile

@@ -58,10 +58,10 @@ create_environment:
 #################################################################################
 
 
-## Clean raw data (raw -> interim)
-.PHONY: clean_data
-clean_data: requirements
-	$(PYTHON_INTERPRETER) scripts/data_cleaning.py
+## Preprocess internal data (raw -> interim)
+.PHONY: preprocess
+preprocess: requirements
+	$(PYTHON_INTERPRETER) scripts/preprocess_internal.py
 
 ## Process dataset (interim -> processed)
 .PHONY: data

data/interim/internal_corrected.csv

@@ -1,435 +1,439 @@
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-O=C(CN(CCCCCCCC)CCCCCCCC)NCCCN(CCCCCCCC)CCCCCCCC,DSPC,0,0,1,0,13.38607591,50.0,10.0,38.5,1.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,gly,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,0,1,1,0,0,0,0.0,4.281930018135596,0.0,0.08460778789131308,0.20005694055666667,0.12936086075893383,0.09810159036277262,0.051411845485909796,0.436460974944404,0.6755740277818357,0.6755740277818357,-0.10365137077996364
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-C=CCCCCCCCCC(OCCCCCCN([C@H](C(NCCCN(CCCCCCOC(CCCCCCCCC=C)=O)CCCCCCOC(CCCCCCCCC=C)=O)=O)CO)CCCCCCOC(CCCCCCCCC=C)=O)=O,DOPE,1,0,0,0,16.73562869,50.90909091,29.09090909,18.18181818,1.818181818,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,ser,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,1,0,0,1,0,0,0.0,4.324000197151533,0.0149763371723649,9.09516394922477eNaN05,0.0086581949277734,0.0033715861108704,0.0008708338913841,0.0023429180538144,0.9696891782043,0.799987755503576,0.799987755503576,0.023711532043425975
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-C=CCCCCCCCCC(OCCCCCCN([C@H](C(NCCCN(CCCCCCOC(CCCCCCCCC=C)=O)CCCCCCOC(CCCCCCCCC=C)=O)=O)CO)CCCCCCOC(CCCCCCCCC=C)=O)=O,DOPE,1,0,0,0,13.89035919,40.0,34.28571429,22.85714286,2.857142857,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,ser,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,0,1,1,0,0,0,0.0,4.388753955423308,0.0457836478243602,0.00256820195313693,0.0933595380902435,0.040121791020458,0.0030345923157605,0.0071974827140253,0.807934746082015,0.638042293066864,0.638042293066864,-0.14207277948485603
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-CCCCCCCCCCCC(OCCCCCCN([C@H](C(NCCCN(CCCCCCOC(CCCCCCCCCCC)=O)CCCCCCOC(CCCCCCCCCCC)=O)=O)CO)CCCCCCOC(CCCCCCCCCCC)=O)=O,DOPE,1,0,0,0,16.86872188,49.0,25.0,24.0,2.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,ser,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,1,0,1,0,0,0,0.0,4.634728988229636,0.0081807280553547,0.00273349879854757,0.0119346096951512,0.0075308964437597,0.005913677967007,0.0057832910417032,0.957923297998477,0.213428398303373,0.213428398303373,-0.5767519680803235
-CCCCCCCCCCCC(OCCCCCCN([C@H](C(NCCCN(CCCCCCOC(CCCCCCCCCCC)=O)CCCCCCOC(CCCCCCCCCCC)=O)=O)CO)CCCCCCOC(CCCCCCCCCCC)=O)=O,DOPE,1,0,0,0,11.15051107,49.0,25.0,24.0,2.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,ser,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,1,0,0,1,0,0,0,0.0,4.7140245909001735,0.0160361616147136,0.00185083446366488,0.0073097350182406,0.0034995655057525,0.0041615315110575,0.0042697510066169,0.962872420879954,0.319359456002154,0.319359456002154,-0.4683098592011185
-CCCCCCCCCCCC(OCCCCCCN([C@H](C(NCCCN(CCCCCCOC(CCCCCCCCCCC)=O)CCCCCCOC(CCCCCCCCCCC)=O)=O)CO)CCCCCCOC(CCCCCCCCCCC)=O)=O,DOPE,1,0,0,0,8.327596879,49.0,25.0,24.0,2.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,ser,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,1,0,0,1,0,0,0,0.0,4.822697998516666,0.0208671125611406,0.0200298903914976,0.0765668274895919,0.0297655881927753,0.0442427715485906,0.0417155046265625,0.766812305189841,0.0431568482237034,0.0431568482237034,-0.7510597336581518
-O=C(OC(CCCCCCCC)CCCCCCCC)CCCCCCCN(CCCCCC(OCCCCCCCCCCC)=O)CCO,DSPC,0,0,1,0,14.343031,48.5,10.0,40.0,1.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,Crtl,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,0,1,1,0,0,0,0.0,4.548282323781043,0.235642631118293,0.00357683071882224,0.268183756367962,0.0537803810677977,0.0056567696761597,0.0055019188042819,0.427657712246684,1.0,1.0,0.2284649826936687
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-OCCN(CCCCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCCCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,9.59856338,45.96,24.83,26.71,2.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,OH,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,1,0,0,0,0.0,4.599152113662528,0.0006,0.8386,0.0028,0.1563,0.0,0.0007,0.0011,0.36,0.36,0.16170025772532357
-OCCN(CCCCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCCCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,9.516252746,44.58,19.33,33.08,3.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,OH,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,1,0,0,0,0.0,4.539030383483547,0.0011,0.9163,0.0025,0.0784,0.0,0.0008,0.0009,0.24,0.24,-0.15851875636636045
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-OCCN(CCCCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCCCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,9.924427289,44.71,13.58,39.21,2.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,OH,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,1,0,0,0,0.0,4.543294782270004,0.0006,0.9464,0.0015,0.0496,0.0,0.0011,0.0008,0.56,0.56,0.6953986145447971
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-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=COC=N1)CC2=COC=N2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,8.630330503,34.25,18.75,45.0,2.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,OZ,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,0,1,1,0,0,0,0.0,4.395682961121367,0.03,0.0837,0.002,0.0261,0.8563,0.0013,0.0006,0.78,0.78,0.0032499752001711128
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=COC=N1)CC2=COC=N2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,5.746375559,22.0,30.0,45.0,3.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,OZ,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,0,1,0,1,0,0,0.0,4.264087336809195,0.0156,0.0138,0.0025,0.0104,0.9532,0.0031,0.0014,0.32,0.32,-0.4676541313771421
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=COC=N1)CC2=COC=N2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,10.15734025,49.0,28.0,20.0,3.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,OZ,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,1,0,0,1,0,0,0,,4.513054897080286,0.0,0,0.0,0.0,0.0,0.0,0.0,0.0,,
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=COC=N1)CC2=COC=N2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,9.812051718,44.61,24.89,27.94,2.56,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,OZ,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,1,0,1,0,0,0,0.0,4.470495282661489,0.009,0.0178,0.0017,0.0948,0.8762,0.0003,0.0004,1.05,1.05,0.27965021166946363
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=COC=N1)CC2=COC=N2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,7.893697629,32.11,24.89,40.44,2.56,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,OZ,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,0,1,1,0,0,0,0.0,4.289088639014612,0.0343,0.1697,0.0013,0.027,0.7666,0.0009,0.0003,0.46,0.46,-0.3243354902449163
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=COC=N1)CC2=COC=N2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,11.08675917,49.0,18.75,31.25,1.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,OZ,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,1,0,1,0,0,0,0.0,4.9684234452869465,0.0,0,0.0,0.0,0.0,0.0,0.0,0.0,,
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=COC=N1)CC2=COC=N2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,10.13512977,42.13,18.75,38.13,1.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,OZ,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,0,1,1,0,0,0,0.0,4.906015244966153,0.0128,0.028,0.0006,0.0208,0.9378,0.0,0.0,0.93,0.93,0.15680566212755587
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=COC=N1)CC2=COC=N2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,10.43848511,45.61,13.64,38.19,2.56,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,OZ,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,0,1,1,0,0,0,0.0,4.525044141508807,0.0635,0.2019,0.0009,0.083,0.6502,0.0003,0.0002,1.5,1.5,0.7403172724516178
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=COC=N1)CC2=COC=N2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,10.44748395,44.5,7.5,45.0,3.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,OZ,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,0,1,1,0,0,0,0.0,4.4520190064939165,0.011,0.3972,0.0016,0.0536,0.5352,0.0009,0.0005,1.45,1.45,0.6891320434758229
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-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=COC=N1)CC2=COC=N2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,8.009941019,34.5,30.0,32.5,3.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,OZ,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,1,0,1,0,0,0,0.0,4.3476939555933765,0.0165,0.0427,0.0035,0.0616,0.8728,0.0028,0.0,0.42,0.42,-0.3652836734255523
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=COC=N1)CC2=COC=N2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O,DOPE,1,0,0,0,9.301142352,39.36,24.89,34.19,1.56,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intramuscular,0,1,0,0,Individual,0,1,luminescence,,,,,,OZ,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intramuscular,0,1,0,1,0,0,0,0.0,4.629862798578463,0.0246,0.1245,0.0015,0.0895,0.7576,0.0023,0.0,0.44,0.44,-0.3448095818352343
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-O=C(OCCCCCCCC/C=C\C/C=C\CCCCC)CCN(CCC(OCCCCCCCC/C=C\C/C=C\CCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC/C=C\C/C=C\CCCCC)=O)CCC(OCCCCCCCC/C=C\C/C=C\CCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,19.0764718,48.5,10.0,40.0,1.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,1,0,0,0,1.0,4.505460341839079,0.0028276342576674,0.00135220428389579,0.101550310310828,0.701364372579719,0.18950529802972,0.0034001805381703,0.0,0.0700302222351868,0.0700302222351868,-0.6120817118766197
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCCCN(CCCCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,17.18453431,48.5,10.0,40.0,1.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,1,0,0,0,1.0,4.684905154006945,0.0025903109842197,0.00122267327648511,0.0959380417500791,0.558064631213231,0.339326541744348,0.0028578010316366,0.0,0.0836567108446898,0.0836567108446898,-0.5757195389760648
-O=C(OCCCCCCCCCCCCCC)CCN(CCC(OCCCCCCCCCCCCCC)=O)CCCCCCN(CCCCCCN(CCC(OCCCCCCCCCCCCCC)=O)CCC(OCCCCCCCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,18.58497913,48.5,10.0,40.0,1.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,1,0,0,0,1.0,4.695924549256556,0.0027016263092544,0.000571977156802491,0.072649821877092,0.283620916967858,0.638520904456637,0.0019347532323563,0.0,0.108372702997361,0.108372702997361,-0.5097651169808466
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC([C@@H](N)CCCCN)=O,DSPC,0,0,1,0,16.82518306,48.5,10.0,40.0,1.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,LYS,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,1,0,0,0,1,0,0,,4.202899968776446,0.0,0,0.0,0.0,0.0,0.0,0.0,0.0,,
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,14.52948326,43.25,25.0,30.0,1.75,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,0,1,0,0.0,5.029784112935016,0.0009518629510334,0.000642237882584555,0.0074795313281113,0.295137112679544,0.692754163229738,0.0030350919289883,0.0,0.19435393861906,0.19435393861906,-0.2803248961378029
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,11.10169345,30.0,25.0,42.5,2.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.833102254034098,0.0052962624931998,0.00246267213977097,0.0289260006923807,0.563065088278535,0.393847703229461,0.0064022731666524,0.0,0.049072760763369,0.049072760763369,-0.6680065256297026
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,13.72804315,38.075,17.975,41.825,2.125,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,0,1,0,,4.93014804318357,0.0,0,0.0,0.0,0.0,0.0,0.0,0.0,,
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,13.39261658,37.0,25.0,37.0,1.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,5.146912912388804,0.0007593661670235,0.000694817987152034,0.0046636402569593,0.212680085653105,0.777593147751606,0.0036089421841541,0.0,0.201238755105862,0.201238755105862,-0.2619528199077537
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,13.51039532,38.5,20.5,38.5,2.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.684905154006945,0.0015753522565212,0.00592927130077556,0.0090051789012869,0.366135503933579,0.613833328839362,0.0035213647684749,0.0,0.149329656900936,0.149329656900936,-0.40047182198750214
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,16.48290639,45.0,9.0,45.0,1.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.869839484130799,0.0014711755508891,0.000927103843315829,0.0058523706164529,0.136146016514374,0.851575135737455,0.0040281977375132,0.0,0.31219703699332,0.31219703699332,0.034138443686487704
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,14.13138042,41.2,22.35,34.325,2.125,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,0,1,0,0.0,4.901564199041894,0.0031570742276875,0.0025689389054212,0.0146712017391132,0.327849346901905,0.646061693847123,0.0056917443787501,0.0,0.158541375998041,0.158541375998041,-0.3758904252594646
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,15.11942242,41.825,14.975,41.825,1.375,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,,5.039546637590676,0.0,0,0.0,0.0,0.0,0.0,0.0,0.0,,
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,14.79492927,45.0,22.5,30.0,2.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.9141243937154115,0.0011335002803412,0.000566939752127873,0.0068070692646791,0.502661298625749,0.486733894218144,0.0020972978589586,0.0,0.145448415448628,0.145448415448628,-0.4108288829150842
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,12.55393718,34.325,21.725,41.825,2.125,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,0,1,0,0.0,4.814620410170298,0.001692878443667,0.000820135726038303,0.0086813657550788,0.408928448915581,0.577101122031978,0.0027760491276572,0.0,0.113760366510672,0.113760366510672,-0.495388181160095
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,15.93959861,45.0,7.5,45.0,2.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.527640983478854,0.0050633434391937,0.004281344333051,0.0165771717732586,0.226890591170162,0.736348900590883,0.0108386486934518,0.0,0.0547343765642327,0.0547343765642327,-0.6528985503803821
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,15.59337013,45.0,15.75,37.5,1.75,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.810557015713042,0.001411122355587,0.000749767156842064,0.0063754116125122,0.138880841494329,0.847648476304751,0.0049343810759782,0.0,0.294154433878409,0.294154433878409,-0.0140080944893819
-O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,11.66031337,30.0,24.0,45.0,1.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,5.167639042905921,0.0019923626703255,0.000827577235394216,0.008719084857644,0.192132365846187,0.792330257640873,0.0039983517495764,0.0,0.151793984465988,0.151793984465988,-0.3938957841268362
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+O=C(OCCCCCCCCCCCCCC)CCN(CCC(OCCCCCCCCCCCCCC)=O)CCCCCCN(CCCCCCN(CCC(OCCCCCCCCCCCCCC)=O)CCC(OCCCCCCCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,18.58497913,48.5,10.0,40.0,1.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,1,0,0,0,1.0,4.695924549256556,0.00270162630925447,0.000571977156802491,0.072649821877092,0.283620916967858,0.638520904456637,0.00193475323235631,-,0.108372702997361,0.108372702997361,-0.5097651169808466
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC([C@@H](N)CCCCN)=O,DSPC,0,0,1,0,16.82518306,48.5,10.0,40.0,1.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,LYS,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,1,0,0,0,1,0,0,,4.202899968776446,-,-,-,-,-,-,-,0.0,,
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,14.52948326,43.25,25.0,30.0,1.75,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,0,1,0,0.0,5.029784112935016,0.000951862951033406,0.000642237882584555,0.00747953132811133,0.295137112679544,0.692754163229738,0.0030350919289883,-,0.19435393861906,0.19435393861906,-0.2803248961378029
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,11.10169345,30.0,25.0,42.5,2.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.833102254034098,0.00529626249319983,0.00246267213977097,0.0289260006923807,0.563065088278535,0.393847703229461,0.00640227316665243,-,0.049072760763369,0.049072760763369,-0.6680065256297026
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,13.72804315,38.075,17.975,41.825,2.125,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,0,1,0,,4.93014804318357,-,-,-,-,-,-,-,0.0,,
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,13.39261658,37.0,25.0,37.0,1.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,5.146912912388804,0.000759366167023555,0.000694817987152034,0.00466364025695932,0.212680085653105,0.777593147751606,0.00360894218415418,-,0.201238755105862,0.201238755105862,-0.2619528199077537
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,13.51039532,38.5,20.5,38.5,2.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.684905154006945,0.00157535225652128,0.00592927130077556,0.00900517890128691,0.366135503933579,0.613833328839362,0.00352136476847493,-,0.149329656900936,0.149329656900936,-0.40047182198750214
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,16.48290639,45.0,9.0,45.0,1.0,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.869839484130799,0.00147117555088917,0.000927103843315829,0.00585237061645294,0.136146016514374,0.851575135737455,0.00402819773751327,-,0.31219703699332,0.31219703699332,0.034138443686487704
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,14.13138042,41.2,22.35,34.325,2.125,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,0,1,0,0.0,4.901564199041894,0.00315707422768752,0.0025689389054212,0.0146712017391132,0.327849346901905,0.646061693847123,0.0056917443787501,-,0.158541375998041,0.158541375998041,-0.3758904252594646
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,15.11942242,41.825,14.975,41.825,1.375,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,,5.039546637590676,-,-,-,-,-,-,-,0.0,,
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,14.79492927,45.0,22.5,30.0,2.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.9141243937154115,0.00113350028034128,0.000566939752127873,0.00680706926467914,0.502661298625749,0.486733894218144,0.00209729785895866,-,0.145448415448628,0.145448415448628,-0.4108288829150842
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,12.55393718,34.325,21.725,41.825,2.125,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,0,1,0,0.0,4.814620410170298,0.001692878443667,0.000820135726038303,0.00868136575507882,0.408928448915581,0.577101122031978,0.00277604912765729,-,0.113760366510672,0.113760366510672,-0.495388181160095
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,15.93959861,45.0,7.5,45.0,2.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.527640983478854,0.00506334343919377,0.004281344333051,0.0165771717732586,0.226890591170162,0.736348900590883,0.0108386486934518,-,0.0547343765642327,0.0547343765642327,-0.6528985503803821
+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,15.59337013,45.0,15.75,37.5,1.75,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.810557015713042,0.00141112235558708,0.000749767156842064,0.00637541161251223,0.138880841494329,0.847648476304751,0.00493438107597822,-,0.294154433878409,0.294154433878409,-0.0140080944893819
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+O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O,DSPC,0,0,1,0,13.66358165,37.5,15.0,45.0,2.5,Pure,Microfluidic,mRNA,1,0,0,FFL,Mouse,0,0,0,0,0,0,0,1,0,body,1,0,0,0,0,0,0,0,0,intravenous,0,0,0,1,Individual,0,1,luminescence,,,,,,PRE,,,Chinese_Academy_of_Sciences,Chinese_Academy_of_Sciences,ccchina,,max,Chinese_Academy_of_Sciences,internal,,,,,,,,,,,,,,,,,,,,,,,,,,,,,Chinese_Academy_of_Sciences_Chinese_Academy_of_Sciences_body_Mouse_intravenous,0,0,1,0,1,0,0,0.0,4.618086411254637,0.00271480786609193,0.00181664538344774,0.00938513027274936,0.132547184736695,0.849509595736892,0.0040266360041233,-,0.0950036114384557,0.0950036114384557,-0.5454404279666308
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scripts/preprocess_internal.py

@@ -0,0 +1,56 @@
+"""数据清洗脚本：修正原始数据中的问题"""
+
+from pathlib import Path
+
+import numpy as np
+import pandas as pd
+import typer
+from loguru import logger
+
+from lnp_ml.config import RAW_DATA_DIR, INTERIM_DATA_DIR
+
+
+app = typer.Typer()
+
+
+@app.command()
+def main(
+    input_path: Path = RAW_DATA_DIR / "internal.xlsx",
+    output_path: Path = INTERIM_DATA_DIR / "internal.csv",
+):
+    """
+    预处理内部数据，按给药途径分组进行 z-score 标准化，对 size 列取 log。
+    
+    修正内容：
+    1. 按给药途径分组进行 z-score 标准化
+    2. 对 size 列取 log
+    """
+    logger.info(f"Loading data from {input_path}")
+    df = pd.read_excel(input_path, header=2)
+    logger.info(f"Loaded {len(df)} samples")
+
+    # 分别对肌肉注射组和静脉注射组重新进行 z-score 标准化
+    logger.info("Z-score normalizing delivery by Route_of_administration...")
+    df["unnormalized_delivery"] = pd.to_numeric(df["unnormalized_delivery"], errors="coerce")
+    df["quantified_delivery"] = (
+        df.groupby("Route_of_administration")["unnormalized_delivery"]
+          .transform(lambda x: (x - x.mean()) / x.std())
+    )
+
+    # 将 Cationic_Lipid_Mol_Ratio,Phospholipid_Mol_Ratio,Cholesterol_Mol_Ratio,PEG_Lipid_Mol_Ratio 四列的百分数转换为小数
+    logger.info("Converting percentage columns to decimal...")
+    df[["Cationic_Lipid_Mol_Ratio", "Phospholipid_Mol_Ratio", "Cholesterol_Mol_Ratio", "PEG_Lipid_Mol_Ratio"]] = df[["Cationic_Lipid_Mol_Ratio", "Phospholipid_Mol_Ratio", "Cholesterol_Mol_Ratio", "PEG_Lipid_Mol_Ratio"]] / 100
+
+    # 对 size 列取 log
+    logger.info("Log-transforming size column...")
+    df["size"] = pd.to_numeric(df["size"], errors="coerce")
+    df["size"] = np.log(df["size"].replace(0, np.nan))  # 避免 log(0)
+
+    # 保存
+    output_path.parent.mkdir(parents=True, exist_ok=True)
+    df.to_csv(output_path, index=False)
+    logger.success(f"Saved cleaned data to {output_path}")
+
+
+if __name__ == "__main__":
+    app()