{"id":13956,"date":"2023-06-19T18:03:06","date_gmt":"2023-06-19T16:03:06","guid":{"rendered":"https:\/\/green-gate.eu\/blog\/je-dobre-vediet\/hodnotenie-ftalatov-pomocou-toxtree\/"},"modified":"2023-12-17T20:01:41","modified_gmt":"2023-12-17T19:01:41","slug":"hodnotenie-ftalatov-pomocou-toxtree","status":"publish","type":"post","link":"https:\/\/green-gate.eu\/sk\/blog\/je-dobre-vediet\/hodnotenie-ftalatov-pomocou-toxtree\/","title":{"rendered":"Hodnotenie ftal\u00e1tov pomocou Toxtree"},"content":{"rendered":"

[et_pb_section fb_built=“1″ admin_label=“section“ _builder_version=“4.16″ global_colors_info=“{}“][et_pb_row admin_label=“row“ _builder_version=“4.16″ background_size=“initial“ background_position=“top_left“ background_repeat=“repeat“ global_colors_info=“{}“][et_pb_column type=“4_4″ _builder_version=“4.16″ custom_padding=“|||“ global_colors_info=“{}“ custom_padding__hover=“|||“][et_pb_text _builder_version=“4.23″ _module_preset=“default“ hover_enabled=“0″ global_colors_info=“{}“ sticky_enabled=“0″]<\/p>\n

O \u010do ide?<\/h3>\n

V tomto blogu v\u00e1m uk\u00e1\u017eeme, ako m\u00f4\u017eete sami vyhodnoti\u0165 ftal\u00e1ty (alebo ak\u00fako\u013evek in\u00fa l\u00e1tku, o ktorej by ste sa chceli dozvedie\u0165 viac) pomocou aplik\u00e1cie Toxtree. Budete potrebova\u0165 len po\u010d\u00edta\u010d alebo notebook a chu\u0165 nau\u010di\u0165 sa nie\u010do nov\u00e9! <\/p>\n

Viac inform\u00e1ci\u00ed o ftal\u00e1toch n\u00e1jdete v \u010dl\u00e1nku na blogu o ftal\u00e1toch v kozmetike<\/a>.<\/p>\n

Viac inform\u00e1ci\u00ed o Toxtree a QSAR n\u00e1jdete v \u010dl\u00e1nku na blogu o QSAR<\/a> a v 3. kapitole knihy G-book.<\/a><\/h5>\n

Krok 1: In\u0161tal\u00e1cia<\/h3>\n

Prv\u00fd krok, ktor\u00fd mus\u00edte urobi\u0165, je stiahnu\u0165 si softv\u00e9r. Vyh\u013eadajte program Toxtree (alebo pou\u017eite tento odkaz<\/a>, aby to bolo r\u00fdchlej\u0161ie) a stiahnite si najnov\u0161iu verziu. Ak pou\u017e\u00edvate syst\u00e9m Windows, m\u00f4\u017eete si stiahnu\u0165 in\u0161tala\u010dn\u00fd program syst\u00e9mu Windows, ak pou\u017e\u00edvate syst\u00e9m Linux alebo IOS, stiahnite si zlo\u017eku ZIP a v oboch pr\u00edpadoch postupujte pod\u013ea pr\u00edslu\u0161n\u00fdch pokynov na in\u0161tal\u00e1ciu.<\/p>\n

[\/et_pb_text][et_pb_image src=“https:\/\/green-gate.eu\/wp-content\/uploads\/2023\/06\/Toxtree-1.png“ title_text=“Toxtree 1″ admin_label=“Image“ _builder_version=“4.21.0″ _module_preset=“32fecfd5-025d-42fc-9828-d86bb0da2821″ global_colors_info=“{}“][\/et_pb_image][et_pb_text _builder_version=“4.21.0″ _module_preset=“default“ global_colors_info=“{}“]<\/p>\n

To, \u017ee in\u0161tal\u00e1cia bola \u00faspe\u0161ne dokon\u010den\u00e1, zist\u00edte, ke\u010f sa po otvoren\u00ed aplik\u00e1cie zobraz\u00ed nasleduj\u00face okno:<\/p>\n

[\/et_pb_text][et_pb_image src=“https:\/\/green-gate.eu\/wp-content\/uploads\/2023\/06\/Toxtree-2.png“ title_text=“Toxtree 2″ _builder_version=“4.21.0″ _module_preset=“32fecfd5-025d-42fc-9828-d86bb0da2821″ global_colors_info=“{}“][\/et_pb_image][et_pb_text _builder_version=“4.21.0″ _module_preset=“default“ global_colors_info=“{}“]<\/p>\n

Krok 2: SMILES k\u00f3d<\/h3>\n

Po nain\u0161talovan\u00ed softv\u00e9ru m\u00f4\u017eete prejs\u0165 k vyh\u013ead\u00e1vaniu k\u00f3du SMILES chemickej l\u00e1tky, ktor\u00fa chcete vyhodnoti\u0165.<\/p>\n

Skratka SMILES vznikla zo spojenia Simplified Molecular Input Line Entry System (slovensky zjednodu\u0161en\u00fd syst\u00e9m zad\u00e1vania riadkov molekulov\u00e9ho vzorca) a je to sp\u00f4sob z\u00e1pisu molekulov\u00e9ho vzorca zl\u00fa\u010deniny.<\/p>\n

V na\u0161om pr\u00edklade budete h\u013eada\u0165 k\u00f3d SMILES dibutylftal\u00e1tu (DBP). Prejdite na webov\u00fa str\u00e1nku PubChem<\/a> a zadajte n\u00e1zov zl\u00fa\u010deniny, v tomto pr\u00edpade dibutylftal\u00e1tu. Stla\u010d\u00edte kl\u00e1ves enter a vyberte pr\u00edslu\u0161n\u00fd v\u00fdsledok vyh\u013ead\u00e1vania. <\/p>\n

Zobraz\u00ed sa v\u00e1m cel\u00fd opis zl\u00fa\u010deniny. Po jeho rozkliknut\u00ed vyh\u013eadajte na \u010fal\u0161ej strane v ponuke CONTENTS (obsah) v \u010dasti Names and Identifiers v\u00fdraz Canonical SMILES, ako je zn\u00e1zornen\u00e9 na obr\u00e1zku ni\u017e\u0161ie, a skop\u00edrujte re\u0165azec p\u00edsmen.<\/p>\n

[\/et_pb_text][et_pb_image src=“https:\/\/green-gate.eu\/wp-content\/uploads\/2023\/06\/Toxtree-3.png“ title_text=“Toxtree 3″ _builder_version=“4.21.0″ _module_preset=“32fecfd5-025d-42fc-9828-d86bb0da2821″ global_colors_info=“{}“][\/et_pb_image][et_pb_text _builder_version=“4.23″ _module_preset=“default“ global_colors_info=“{}“]<\/p>\n

Krok 3: \u010cas na anal\u00fdzu<\/h3>\n

Vlo\u017ete k\u00f3d SMILES do horn\u00e9ho vstupn\u00e9ho po\u013ea aplik\u00e1cie Toxtree a stla\u010dte tla\u010didlo GO!<\/p>\n

[\/et_pb_text][et_pb_image src=“https:\/\/green-gate.eu\/wp-content\/uploads\/2023\/06\/Toxtree-4.png“ title_text=“Toxtree 4″ _builder_version=“4.21.0″ _module_preset=“32fecfd5-025d-42fc-9828-d86bb0da2821″ global_colors_info=“{}“][\/et_pb_image][et_pb_text _builder_version=“4.21.0″ _module_preset=“default“ global_colors_info=“{}“]<\/p>\n

T\u00fdm sa zmen\u00ed l\u00e1tka, ktor\u00fa si prezer\u00e1te, a zobraz\u00ed sa aj pr\u00edslu\u0161n\u00e1 2D molekulov\u00e1 \u0161trukt\u00fara. <\/p>\n

Pred odhadom toxicity mus\u00edte vybra\u0165 vhodn\u00fd rozhodovac\u00ed strom. Ide o s\u00fabor pravidiel a algoritmov, ktor\u00e9 pod\u013ea zn\u00e1meho v\u00fdskumu akt\u00edvnych skup\u00edn ur\u010duj\u00fa, \u010di je l\u00e1tka toxick\u00e1 alebo nie. Pr\u00edstup k r\u00f4znym rozhodovac\u00edm stromom z\u00edskate kliknut\u00edm na ikonu Method (met\u00f3da) na hornej li\u0161te a v\u00fdberom mo\u017enosti „Vybra\u0165 rozhodovac\u00ed strom“. <\/p>\n

Ke\u010f\u017ee pre predpovede toxicity existuje nieko\u013eko rozhodovac\u00edch stromov, ka\u017ed\u00fd z nich mus\u00edte h\u013eada\u0165 samostatne. V tomto pr\u00edpade budete pomocou pr\u00edslu\u0161n\u00e9ho stromu testova\u0165 genotoxicitu a karcinogenitu, ako je uveden\u00e9 ni\u017e\u0161ie: <\/p>\n

[\/et_pb_text][et_pb_image src=“https:\/\/green-gate.eu\/wp-content\/uploads\/2023\/06\/Toxtree-5.png“ title_text=“Toxtree 5″ _builder_version=“4.21.0″ _module_preset=“32fecfd5-025d-42fc-9828-d86bb0da2821″ global_colors_info=“{}“][\/et_pb_image][et_pb_text _builder_version=“4.21.0″ _module_preset=“default“ global_colors_info=“{}“]<\/p>\n

Po v\u00fdbere budete presmerovan\u00ed na hlavn\u00e9 okno, tam kliknite na tla\u010didlo Odhad. Ak sa otvor\u00ed \u010fal\u0161ie okno, nie je potrebn\u00e9 ni\u010d zad\u00e1va\u0165, sta\u010d\u00ed stla\u010di\u0165 tla\u010didlo OK. Po dokon\u010den\u00ed vo zv\u00fdraznen\u00fdch v\u00fdsledkoch n\u00e1jdete odhadovan\u00fa kateg\u00f3riu l\u00e1tky. Pokia\u013e ide o dibutylftal\u00e1t, algoritmus sa rozhodol zobrazi\u0165 upozornenie na negenotoxick\u00fa karcinogenitu. <\/p>\n

[\/et_pb_text][et_pb_image src=“https:\/\/green-gate.eu\/wp-content\/uploads\/2023\/06\/Toxtree-6.png“ title_text=“Toxtree 6″ _builder_version=“4.21.0″ _module_preset=“32fecfd5-025d-42fc-9828-d86bb0da2821″ global_colors_info=“{}“][\/et_pb_image][et_pb_text _builder_version=“4.23″ _module_preset=“default“ global_colors_info=“{}“]<\/p>\n

Podarilo sa v\u00e1m to!<\/p>\n

Zistili ste genotoxick\u00fd potenci\u00e1l l\u00e1tky.<\/p>\n

Vysk\u00fa\u0161ajte takto otestova\u0165 r\u00f4zne zlo\u017eky, ktor\u00e9 n\u00e1jdete uveden\u00e9 na kozmetick\u00fdch v\u00fdrobkoch u v\u00e1s doma.<\/p>\n

M\u00f4\u017eete tie\u017e vysk\u00fa\u0161a\u0165 in\u00e9 rozhodovacie stromy a h\u013eada\u0165 \u010fal\u0161ie potenci\u00e1lne toxick\u00e9 vlastnosti kozmetick\u00fdch v\u00fdrobkov.<\/p>\n

[\/et_pb_text][\/et_pb_column][\/et_pb_row][\/et_pb_section]<\/p>\n","protected":false},"excerpt":{"rendered":"

Zistite toxick\u00fd potenci\u00e1l l\u00e1tky pomocou vo\u013ene pou\u017eite\u013en\u00e9ho softv\u00e9ru.<\/p>\n","protected":false},"author":11,"featured_media":7109,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_et_pb_use_builder":"on","_et_pb_old_content":"","_et_gb_content_width":"","_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"footnotes":""},"categories":[120],"tags":[],"ppma_author":[167],"yoast_head":"\nHodnotenie ftal\u00e1tov pomocou Toxtree - GreenGate<\/title>\n<meta name=\"description\" content=\"Zistite toxick\u00fd potenci\u00e1l l\u00e1tky pomocou vo\u013ene pou\u017eite\u013en\u00e9ho softv\u00e9ru.\" \/>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/green-gate.eu\/sk\/blog\/je-dobre-vediet\/hodnotenie-ftalatov-pomocou-toxtree\/\" \/>\n<meta property=\"og:locale\" content=\"sk_SK\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Hodnotenie ftal\u00e1tov pomocou Toxtree - 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