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+{
+ "cells": [
+ {
+ "cell_type": "code",
+ "execution_count": 1,
+ "id": "50a451f7-1809-46d2-973e-74e901d97204",
+ "metadata": {},
+ "outputs": [],
+ "source": [
+ "import pandas as pd\n",
+ "import numpy as np\n",
+ "import seaborn as sns\n",
+ "import matplotlib.pyplot as plt\n",
+ "import networkx as nx\n",
+ "from networkx.algorithms import bipartite\n",
+ "import nxpd\n",
+ "import funciones_reposicionamiento\n",
+ "import re"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "id": "422cca8f-611e-4e02-8fa5-e90641cb3fb2",
+ "metadata": {},
+ "source": [
+ "### Enfermedades estudiadas\n",
+ "\n",
+ "
\n",
+ " \n",
+ "| Condition | Concept ID |\n",
+ "|------------------- |------------|\n",
+ "| Dementia | C0497327 |\n",
+ "| Bipolar Disorder | C0005586 |\n",
+ "| Epilepsy | C0014544 |\n",
+ "| Schizophrenia | C0036341 |\n",
+ "\n",
+ "
\n"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "id": "62ae066d-075e-45c9-a878-6b971f837d8a",
+ "metadata": {},
+ "source": [
+ "### Datos"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 2,
+ "id": "ce71be78-0f8c-4f42-ae9e-e730de08e7fe",
+ "metadata": {},
+ "outputs": [],
+ "source": [
+ "#Cargo los archivos que contienen las matrices de SPL\n",
+ "spl_enf_dis_gen = pd.read_csv('Data/Matrices SPL/SPL enf en bipartita enf-gen.csv', sep=\",\")\n",
+ "spl_gen_dis_gen = pd.read_csv('Data/Matrices SPL/SPL genes en bipartita enf-gen.csv', sep=\",\")\n",
+ "spl_enf_dis_dru = pd.read_csv('Data/Matrices SPL/SPL enf en bipartita enf-dru.csv', sep=\",\")\n",
+ "spl_dru_dis_dru = pd.read_csv('Data/Matrices SPL/SPL fármacos en bipartita enf-dru.csv', sep=\",\")\n",
+ "spl_enf_dse_sym = pd.read_csv('Data/Matrices SPL/SPL enf en bipartita enf-sym.csv', sep=\",\")\n",
+ "spl_sym_dse_sym = pd.read_csv('Data/Matrices SPL/SPL síntomas en bipartita enf-sym.csv', sep=\",\")\n",
+ "spl_dis_gen_proj = pd.read_csv('Data/Matrices SPL/SPL enf en proyectada enf-gen.csv', sep=\",\")\n",
+ "spl_dis_dru_proj = pd.read_csv('Data/Matrices SPL/SPL enf en proyectada enf-dru.csv', sep=\",\")\n",
+ "spl_dse_sym_proj = pd.read_csv('Data/Matrices SPL/SPL enf en proyectada enf-sym.csv', sep=\",\")"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "id": "041b026c-bd1b-495d-89c1-2887a43995f5",
+ "metadata": {},
+ "source": [
+ "### Fármacos candidatos"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "id": "4681667a-28e9-45f2-8792-22280a657c8c",
+ "metadata": {},
+ "outputs": [],
+ "source": [
+ "#cargo el archivo obtenido en la celda anterior\n",
+ "resultados_proximidad_targets = pd.read_csv('Resultados proximidad y targets en módulo.csv', sep=\",\")"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "id": "5b55709c-6c2b-4225-a0e6-d46c5c29a876",
+ "metadata": {},
+ "outputs": [],
+ "source": [
+ "candidatos_dementia = funciones_reposicionamiento.farmacos_candidatos(resultados_proximidad_targets, \"Demencia\", dis_dru_the)\n",
+ "candidatos_bipolar = funciones_reposicionamiento.farmacos_candidatos(resultados_proximidad_targets, \"Bipolaridad\", dis_dru_the)\n",
+ "candidatos_epilepsy = funciones_reposicionamiento.farmacos_candidatos(resultados_proximidad_targets, \"Epilepsia\", dis_dru_the)\n",
+ "candidatos_schizo = funciones_reposicionamiento.farmacos_candidatos(resultados_proximidad_targets, \"Esquizofrenia\", dis_dru_the)"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "id": "222c2ca3-3711-47b2-a1ec-5d72f7dcd652",
+ "metadata": {},
+ "outputs": [],
+ "source": [
+ "enfermedades = ['Demencia', 'Bipolaridad', 'Epilepsia', 'Esquizofrenia']\n",
+ "\n",
+ "df_resultados_candidatos = pd.DataFrame()\n",
+ "\n",
+ "# Itero sobre las cuatro enfermedades\n",
+ "for enfermedad in enfermedades:\n",
+ " # Utilizo la función farmacos_candidatos para cada enfermedad neurológica y concateno los resultados\n",
+ " resultados_enfermedad = funciones_reposicionamiento.farmacos_candidatos(resultados_proximidad_targets, enfermedad, dis_dru_the)\n",
+ " df_resultados_candidatos = pd.concat([df_resultados_candidatos, resultados_enfermedad], ignore_index=True)\n",
+ "\n",
+ "df_resultados_candidatos.to_csv(\"Fármacos y enfermedades candidatos de reposicionamiento.csv\", index = False)"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 3,
+ "id": "fb9495ea-efcc-42c0-97f2-e24d0e231ef1",
+ "metadata": {},
+ "outputs": [],
+ "source": [
+ "#cargo el archivo de fármacos candidatos de reposicionamiento\n",
+ "candidatos = pd.read_csv('Fármacos y enfermedades candidatos de reposicionamiento.csv', sep=\",\")"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 4,
+ "id": "77745258-518c-4642-8b5a-a825b1750390",
+ "metadata": {},
+ "outputs": [],
+ "source": [
+ "#calculo los SPLs en las tres redes proyectadas entre las enfermedades neurológicas estudiadas y las enfermedades tratadas por los\n",
+ "#fármacos candidatos de reposicionamiento.\n",
+ "id_enfermedades = {\n",
+ " 'Demencia': \"C0497327\",\n",
+ " 'Bipolaridad': \"C0005586\",\n",
+ " 'Epilepsia': \"C0014544\",\n",
+ " 'Esquizofrenia': \"C0036341\"\n",
+ "}\n",
+ "\n",
+ "spls_files = [spl_dis_gen_proj, spl_dis_dru_proj, spl_dse_sym_proj]\n",
+ "\n",
+ "spls_enfermedades_candidatas = funciones_reposicionamiento.spl_candidatos(spls_files, id_enfermedades, candidatos)\n",
+ "spls_enfermedades_candidatas.to_csv(\"SPLs enfermedades candidatas de reposicionamiento.csv\", index = False)"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 6,
+ "id": "ad63dea1-2fb0-414d-b461-a40d728154b4",
+ "metadata": {},
+ "outputs": [],
+ "source": [
+ "#cargo el archivo con los resultados de la celda anterior\n",
+ "spls_enfermedades_candidatas = pd.read_csv(\"SPLs enfermedades candidatas de reposicionamiento.csv\", sep=\",\")"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 8,
+ "id": "19977544-f4b8-4401-9d16-02e4c65a3e64",
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+ " Fármacos candidatos Demencia Total enfermedades tratadas \\\n",
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+ "#calculo la cantidad de enfermedades tratadas por fármacos candidatos de reposcinamiento en cada una de las redes proyectadas.\n",
+ "enf_candidatas_dementia = funciones_reposicionamiento.distribucion_enf_candidatas(spls_enfermedades_candidatas, \"Demencia\")\n",
+ "enf_candidatas_dementia.sort_values(by=\"Total enfermedades tratadas\", ascending=False).head()"
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+ " Fármacos candidatos Bipolaridad Total enfermedades tratadas \\\n",
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+ "source": [
+ "enf_candidatas_bipolar = funciones_reposicionamiento.distribucion_enf_candidatas(spls_enfermedades_candidatas, \"Bipolaridad\")\n",
+ "enf_candidatas_bipolar.sort_values(by=\"Total enfermedades tratadas\", ascending=False).head()"
+ ]
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+ "source": [
+ "enf_candidatas_epilepsy = funciones_reposicionamiento.distribucion_enf_candidatas(spls_enfermedades_candidatas, \"Epilepsia\")\n",
+ "enf_candidatas_epilepsy.sort_values(by=\"Total enfermedades tratadas\", ascending=False).head()"
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+ "enf_candidatas_schizo = funciones_reposicionamiento.distribucion_enf_candidatas(spls_enfermedades_candidatas, \"Esquizofrenia\")\n",
+ "enf_candidatas_schizo.sort_values(by=\"Total enfermedades tratadas\", ascending=False).head()"
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