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Conception Et Modélisation De Nouvelles Molécules Hautement Énergétiques En Fonction Des Contraintes Réglementaires Et Environnementales Charlotte Alliod

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Conception Et Modélisation De Nouvelles Molécules Hautement Énergétiques En Fonction Des Contraintes Réglementaires Et Environnementales Charlotte Alliod Conception et modélisation de nouvelles molécules hautement énergétiques en fonction des contraintes réglementaires et environnementales Charlotte Alliod To cite this version: Charlotte Alliod. Conception et modélisation de nouvelles molécules hautement énergétiques en fonc- tion des contraintes réglementaires et environnementales. Toxicologie. Université de Lyon, 2018. Français. NNT : 2018LYSE1035. tel-02918057 HAL Id: tel-02918057 https://tel.archives-ouvertes.fr/tel-02918057 Submitted on 20 Aug 2020 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. N°d’ordre NNT : 2018LYSE1035 THESE de DOCTORAT DE L’UNIVERSITE DE LYON opérée au sein de l’Université Claude Bernard Lyon 1 Ecole Doctorale N° 205 Ecole Doctorale Interdisciplinaire Sciences-Santé (EDISS) Spécialité de doctorat : Biologie, médecine et santé Discipline : Toxicologie et Chémiométrie Soutenue le 08/03/2018, par : Mlle Charlotte ALLIOD Conception et modélisation de nouvelles molécules hautement énergétiques en fonction des contraintes réglementaires et environnementales Devant le jury composé de : Camproux, A-C Professeure Université Paris Diderot Rapporteuse Charrue, Pierre Chargé de mission et Expert CEA Ripault Rapporteur Nicolle Edwige MC Université Joseph Fourier Grenoble Rapporteuse Jacob, Guy Directeur adjoint LHCEP expert senior ASL Examinateur Patino, Nadia Professeure Université de Nice Examinatrice Collet Christelle Spécialiste technique propulsion MSIAC Invité Lobreau, L-F Chef de projet ASL Invité Ierno Hélène Management des produits chimiques ASL Invité Terreux, Raphaël Professeur Université Claude Bernard Lyon 1 Directeur de thèse 81,9(56,7(&/$8'(%(51$5'/<21 Président de l’Université 0OH3URIHVVHXU)UpGpULF)/(85< 3UpVLGHQWGX&RQVHLO$FDGpPLTXH 0OH3URIHVVHXU+DPGD%(1+$',' 9LFHSUpVLGHQWGX&RQVHLOd’Administration 0OH3URIHVVHXU'LGLHU5(9(/ 9LFHSUpVLGHQWGX&RQVHLO)RUPDWLRQHW9LH8QLYHUVLWDLUH 0OH3URIHVVHXU3KLOLSSH&+(9$/,(5 9LFHSUpVLGHQWGHOD&RPPLVVLRQ5HFKHUFKH 0)DEULFH9$//e( 'LUHFWULFH*pQpUDOHGHV6HUYLFHV 0PH'RPLQLTXH0$5&+$1' COMPOSANTES SANTE )DFXOWpGH0pGHFLQH/\RQ(VW–&ODXGH%HUQDUG 'LUHFWHXU0OH3URIHVVHXU*52'( )DFXOWpGH0pGHFLQHHWGH0DwHXWLTXH/\RQ6XG–&KDUOHV 'LUHFWHXU0PHOD3URIHVVHXUH&%85,//21 0pULHX[ 'LUHFWHXU0OH3URIHVVHXU'%285*(2,6 Faculté d’Odontologie 'LUHFWHXU0PHOD3URIHVVHXUH&9,1&,*8(55$ ,QVWLWXWGHV6FLHQFHV3KDUPDFHXWLTXHVHW%LRORJLTXHV 'LUHFWHXU0;3(5527 ,QVWLWXWGHV6FLHQFHVHW7HFKQLTXHVGHOD5pDGDSWDWLRQ 'LUHFWHXU0PHOD3URIHVVHXUH$06&+277 'pSDUWHPHQWGHIRUPDWLRQHW&HQWUHGH5HFKHUFKHHQ%LRORJLH +XPDLQH COMPOSANTES ET DEPARTEMENTS DE SCIENCES ET TECHNOLOGIE )DFXOWpGHV6FLHQFHVHW7HFKQRORJLHV 'LUHFWHXU0)'(0$5&+, 'pSDUWHPHQW%LRORJLH 'LUHFWHXU0OH3URIHVVHXU)7+(9(1$5' 'pSDUWHPHQW&KLPLH%LRFKLPLH 'LUHFWHXU0PH&)(/,; 'pSDUWHPHQW*(3 'LUHFWHXU0+DVVDQ+$00285, 'pSDUWHPHQW,QIRUPDWLTXH 'LUHFWHXU0OH3URIHVVHXU6$..28&+( 'pSDUWHPHQW0DWKpPDWLTXHV 'LUHFWHXU0OH3URIHVVHXU*720$129 'pSDUWHPHQW0pFDQLTXH 'LUHFWHXU0OH3URIHVVHXU+%(1+$',' 'pSDUWHPHQW3K\VLTXH 'LUHFWHXU0OH3URIHVVHXU-&3/(1(7 8)56FLHQFHVHW7HFKQLTXHVGHV$FWLYLWpV3K\VLTXHVHW6SRUWLYHV 'LUHFWHXU0<9$1328//( Observatoire des Sciences de l’Univers de Lyon 'LUHFWHXU0%*8,'(5'21, 3RO\WHFK/\RQ 'LUHFWHXU0OH3URIHVVHXU(3(55,1 (FROH6XSpULHXUHGH&KLPLH3K\VLTXH(OHFWURQLTXH 'LUHFWHXU0*3,*1$8/7 ,QVWLWXW8QLYHUVLWDLUHGH7HFKQRORJLHGH/\RQ 'LUHFWHXU0OH3URIHVVHXU&9,721 Ecole Supérieure du Professorat et de l’Education 'LUHFWHXU0OH3URIHVVHXU$028*1,277( ,QVWLWXWGH6FLHQFH)LQDQFLqUHHWG $VVXUDQFHV 'LUHFWHXU01/(%2,61( 2 5HPHUFLHPHQWV 0HVSUHPLHUVremerciements s’adressent à la Direction Général de l’Armement (DGA) pour m’avoir apporté son soutien financier pour réaliser ce doctorat. -HWLHQVjUHPHUFLHUOH3U$QQH&ODXGH&DPSURX[HWOH'U(GZLJH1LFROOHSRXUDYRLUDFFHSWp GHUDSSRUWHUOHWUDYDLOSUpVHQWpGDQVFHPDQXVFULWDLQVLTXHles membres du jury qui m’ont fait l’honneur de juger ce travail de thèse. 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Test de reprotoxicité………………………………………………………… &KpPLRPpWULH…………………………………………………………………………… /HVRXWLOVGHSUpGLFWLRQin silico…………………………………………………… 3.1.1. QSAR…………………………………………………………………………… 3.1.2. Similarité……………………………………………………………………… 3.1.3. Machine Learning…………………………………………………………… Définition………………………………………………………………… 2. Algorithme: champs et applications……………………………………… 1. L’apprentissage supervisé………………………………………… 2. L’apprentissage non supervisé……………………………………… 'pFLVLRQV……………………………...………………………………… 1. La classification…………………………………………………… /DFODVVLILFDWLRQPXOWLclasses……………………………………… 3. La
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