{"id":63796,"date":"2022-04-14T14:07:57","date_gmt":"2022-04-14T12:07:57","guid":{"rendered":"https:\/\/www.kwrwater.nl\/actueel\/de-schadelijkheid-van-stoffen-voorspellen\/"},"modified":"2022-04-25T09:40:28","modified_gmt":"2022-04-25T07:40:28","slug":"predicting-the-potential-hazard-of-contaminants","status":"publish","type":"post","link":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/","title":{"rendered":"Predicting the potential hazard of contaminants"},"content":{"rendered":"<div class=\"post_intro\">\n<p>KWR is going to use <em>in silico <\/em>tools to predict the potential hazard of contaminants. The chemical structure of contaminants can be used to derive toxicological properties and establish an understanding of potentially adverse effects on human health and the environment. Assessments with <em>in silico<\/em> tools are faster and more cost-effective than toxicological experiments. In work on water-quality, <em>in silico<\/em> tools are useful for prioritising follow-up research and for an integrated approach for hazard and risk assessment.<\/p>\n<\/div>\n<p>Around the world, the number of contaminants that may be found in water is increasing. In the case of new, emerging substances and for substances that may be produced in the environment or during water treatment (<em>i.e. <\/em>transformation products), often no or hardly any information is available about the toxicological properties and potentially adverse effects on human health and the environment. <em>In silico <\/em>models are designed to predict the toxicity of contaminants and they therefore represent a possible solution for filling data gaps.<\/p>\n<h2>QSAR and \u2018read-across\u2019<\/h2>\n<p>(Quantitative) structure-activity relationships \u2013 (Q)SARs \u2013 are used to determine, on the basis of the chemical structure, whether a substance can be expected to have an adverse effect on health or the environment. A \u2018read-across\u2019 compares the chemical structure of a contaminant with other substances to predict its potential adverse effects on humans and the environment. In the case of contaminants for which the toxicological information is very limited, an <em>in silico<\/em> approach is faster and more cost-effective than toxicological experiments.<\/p>\n<h2>Mitigating risks<\/h2>\n<p>The added value of <em>in silico<\/em> tools for water-quality issues consists of the prioritisation of follow-up research and an integrated approach to the assessment of safety and risks. This means that <em>in silico<\/em> tools are useful for the targeted selection and deployment of measures and decision-making processes to mitigate any risks associated with contaminants.<\/p>\n<div class=\"wp-caption aligncenter\" style=\"width: 1280px\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2022\/04\/Scheme-QSAR-water-sample_EN.png\" alt=\"\" width=\"1280\" height=\"720\" \/><p class=\"wp-caption-text\">Schematic representation of applications of in silico models of toxicity for the prioritisation of contaminants for follow-up testing and interpretation of chemical analyses as part of water-quality monitoring.<\/p><\/div>\n<div class=\"wp-caption aligncenter\" style=\"width: 1280px\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2022\/04\/Scheme-QSAR-water-relevant-compound_EN.png\" alt=\"\" width=\"1280\" height=\"720\" \/><p class=\"wp-caption-text\">Schematic representation of the application of in silico models for the assessment of hazards and risks associated with individual water-relevant contaminants.<\/p><\/div>\n","protected":false},"excerpt":{"rendered":"<p>KWR gebruikt in silico-tools om de schadelijkheid van stoffen te voorspellen. Deze tools werken sneller en zijn kosteneffici\u00ebnter dan de uitvoering van toxicologische experimenten. <\/p>\n","protected":false},"author":6,"featured_media":63430,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"_relevanssi_hide_post":"","_relevanssi_hide_content":"","_relevanssi_pin_for_all":"","_relevanssi_pin_keywords":"","_relevanssi_unpin_keywords":"","_relevanssi_related_keywords":"","_relevanssi_related_include_ids":"","_relevanssi_related_exclude_ids":"","_relevanssi_related_no_append":"","_relevanssi_related_not_related":"","_relevanssi_related_posts":"","_relevanssi_noindex_reason":"","footnotes":""},"categories":[9],"tags":[],"class_list":["post-63796","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-news","gtag-toxicology","gtag-water-quality","gtag-chemical-structure","gtag-health-risk"],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v24.2 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Predicting the potential hazard of contaminants - KWR<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Predicting the potential hazard of contaminants - KWR\" \/>\n<meta property=\"og:description\" content=\"KWR gebruikt in silico-tools om de schadelijkheid van stoffen te voorspellen. Deze tools werken sneller en zijn kosteneffici\u00ebnter dan de uitvoering van toxicologische experimenten.\" \/>\n<meta property=\"og:url\" content=\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/\" \/>\n<meta property=\"og:site_name\" content=\"KWR\" \/>\n<meta property=\"article:publisher\" content=\"https:\/\/www.facebook.com\/KWRwater\/\" \/>\n<meta property=\"article:published_time\" content=\"2022-04-14T12:07:57+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2022-04-25T07:40:28+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2022\/04\/data-programming-markus-spiske-unsplash-1024x576.jpg\" \/>\n\t<meta property=\"og:image:width\" content=\"1024\" \/>\n\t<meta property=\"og:image:height\" content=\"576\" \/>\n\t<meta property=\"og:image:type\" content=\"image\/jpeg\" \/>\n<meta name=\"author\" content=\"KWR - YK\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:creator\" content=\"@KWR_water\" \/>\n<meta name=\"twitter:site\" content=\"@KWR_water\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"KWR - YK\" \/>\n\t<meta name=\"twitter:label2\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"2 minutes\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"Article\",\"@id\":\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#article\",\"isPartOf\":{\"@id\":\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/\"},\"author\":{\"name\":\"KWR - YK\",\"@id\":\"https:\/\/www.kwrwater.nl\/en\/#\/schema\/person\/35e7ad3402a0f7700e3c8e2463ce6dd4\"},\"headline\":\"Predicting the potential hazard of contaminants\",\"datePublished\":\"2022-04-14T12:07:57+00:00\",\"dateModified\":\"2022-04-25T07:40:28+00:00\",\"mainEntityOfPage\":{\"@id\":\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/\"},\"wordCount\":367,\"commentCount\":0,\"publisher\":{\"@id\":\"https:\/\/www.kwrwater.nl\/en\/#organization\"},\"image\":{\"@id\":\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#primaryimage\"},\"thumbnailUrl\":\"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2022\/04\/data-programming-markus-spiske-unsplash-scaled.jpg\",\"articleSection\":[\"News\"],\"inLanguage\":\"en-US\",\"potentialAction\":[{\"@type\":\"CommentAction\",\"name\":\"Comment\",\"target\":[\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#respond\"]}]},{\"@type\":\"WebPage\",\"@id\":\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/\",\"url\":\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/\",\"name\":\"Predicting the potential hazard of contaminants - KWR\",\"isPartOf\":{\"@id\":\"https:\/\/www.kwrwater.nl\/en\/#website\"},\"primaryImageOfPage\":{\"@id\":\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#primaryimage\"},\"image\":{\"@id\":\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#primaryimage\"},\"thumbnailUrl\":\"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2022\/04\/data-programming-markus-spiske-unsplash-scaled.jpg\",\"datePublished\":\"2022-04-14T12:07:57+00:00\",\"dateModified\":\"2022-04-25T07:40:28+00:00\",\"breadcrumb\":{\"@id\":\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#breadcrumb\"},\"inLanguage\":\"en-US\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/\"]}]},{\"@type\":\"ImageObject\",\"inLanguage\":\"en-US\",\"@id\":\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#primaryimage\",\"url\":\"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2022\/04\/data-programming-markus-spiske-unsplash-scaled.jpg\",\"contentUrl\":\"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2022\/04\/data-programming-markus-spiske-unsplash-scaled.jpg\",\"width\":2560,\"height\":1440},{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"Home\",\"item\":\"https:\/\/www.kwrwater.nl\/en\/\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"Predicting the potential hazard of contaminants\"}]},{\"@type\":\"WebSite\",\"@id\":\"https:\/\/www.kwrwater.nl\/en\/#website\",\"url\":\"https:\/\/www.kwrwater.nl\/en\/\",\"name\":\"KWR\",\"description\":\"Bridging science to practice in the watercycle\",\"publisher\":{\"@id\":\"https:\/\/www.kwrwater.nl\/en\/#organization\"},\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\/\/www.kwrwater.nl\/en\/?s={search_term_string}\"},\"query-input\":{\"@type\":\"PropertyValueSpecification\",\"valueRequired\":true,\"valueName\":\"search_term_string\"}}],\"inLanguage\":\"en-US\"},{\"@type\":\"Organization\",\"@id\":\"https:\/\/www.kwrwater.nl\/en\/#organization\",\"name\":\"KWR Water Research Institute\",\"url\":\"https:\/\/www.kwrwater.nl\/en\/\",\"logo\":{\"@type\":\"ImageObject\",\"inLanguage\":\"en-US\",\"@id\":\"https:\/\/www.kwrwater.nl\/en\/#\/schema\/logo\/image\/\",\"url\":\"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2016\/05\/kwr_logo.svg\",\"contentUrl\":\"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2016\/05\/kwr_logo.svg\",\"width\":1,\"height\":1,\"caption\":\"KWR Water Research Institute\"},\"image\":{\"@id\":\"https:\/\/www.kwrwater.nl\/en\/#\/schema\/logo\/image\/\"},\"sameAs\":[\"https:\/\/www.facebook.com\/KWRwater\/\",\"https:\/\/x.com\/KWR_water\",\"https:\/\/www.instagram.com\/kwr_water\/\",\"https:\/\/www.linkedin.com\/company\/kwr-watercycle-research-institute\/\",\"https:\/\/www.youtube.com\/channel\/UCRPWFEEsC32DeP55thhLJQg\/\"]},{\"@type\":\"Person\",\"@id\":\"https:\/\/www.kwrwater.nl\/en\/#\/schema\/person\/35e7ad3402a0f7700e3c8e2463ce6dd4\",\"name\":\"KWR - YK\",\"image\":{\"@type\":\"ImageObject\",\"inLanguage\":\"en-US\",\"@id\":\"https:\/\/www.kwrwater.nl\/en\/#\/schema\/person\/image\/\",\"url\":\"https:\/\/secure.gravatar.com\/avatar\/6bee31fa868f905bdc3a283ba803ba1a?s=96&d=mm&r=g\",\"contentUrl\":\"https:\/\/secure.gravatar.com\/avatar\/6bee31fa868f905bdc3a283ba803ba1a?s=96&d=mm&r=g\",\"caption\":\"KWR - YK\"},\"url\":\"https:\/\/www.kwrwater.nl\/en\/actueel\/author\/yvonne\/\"}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Predicting the potential hazard of contaminants - KWR","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/","og_locale":"en_US","og_type":"article","og_title":"Predicting the potential hazard of contaminants - KWR","og_description":"KWR gebruikt in silico-tools om de schadelijkheid van stoffen te voorspellen. Deze tools werken sneller en zijn kosteneffici\u00ebnter dan de uitvoering van toxicologische experimenten.","og_url":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/","og_site_name":"KWR","article_publisher":"https:\/\/www.facebook.com\/KWRwater\/","article_published_time":"2022-04-14T12:07:57+00:00","article_modified_time":"2022-04-25T07:40:28+00:00","og_image":[{"width":1024,"height":576,"url":"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2022\/04\/data-programming-markus-spiske-unsplash-1024x576.jpg","type":"image\/jpeg"}],"author":"KWR - YK","twitter_card":"summary_large_image","twitter_creator":"@KWR_water","twitter_site":"@KWR_water","twitter_misc":{"Written by":"KWR - YK","Est. reading time":"2 minutes"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"Article","@id":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#article","isPartOf":{"@id":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/"},"author":{"name":"KWR - YK","@id":"https:\/\/www.kwrwater.nl\/en\/#\/schema\/person\/35e7ad3402a0f7700e3c8e2463ce6dd4"},"headline":"Predicting the potential hazard of contaminants","datePublished":"2022-04-14T12:07:57+00:00","dateModified":"2022-04-25T07:40:28+00:00","mainEntityOfPage":{"@id":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/"},"wordCount":367,"commentCount":0,"publisher":{"@id":"https:\/\/www.kwrwater.nl\/en\/#organization"},"image":{"@id":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#primaryimage"},"thumbnailUrl":"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2022\/04\/data-programming-markus-spiske-unsplash-scaled.jpg","articleSection":["News"],"inLanguage":"en-US","potentialAction":[{"@type":"CommentAction","name":"Comment","target":["https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#respond"]}]},{"@type":"WebPage","@id":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/","url":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/","name":"Predicting the potential hazard of contaminants - KWR","isPartOf":{"@id":"https:\/\/www.kwrwater.nl\/en\/#website"},"primaryImageOfPage":{"@id":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#primaryimage"},"image":{"@id":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#primaryimage"},"thumbnailUrl":"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2022\/04\/data-programming-markus-spiske-unsplash-scaled.jpg","datePublished":"2022-04-14T12:07:57+00:00","dateModified":"2022-04-25T07:40:28+00:00","breadcrumb":{"@id":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#breadcrumb"},"inLanguage":"en-US","potentialAction":[{"@type":"ReadAction","target":["https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/"]}]},{"@type":"ImageObject","inLanguage":"en-US","@id":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#primaryimage","url":"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2022\/04\/data-programming-markus-spiske-unsplash-scaled.jpg","contentUrl":"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2022\/04\/data-programming-markus-spiske-unsplash-scaled.jpg","width":2560,"height":1440},{"@type":"BreadcrumbList","@id":"https:\/\/www.kwrwater.nl\/en\/actueel\/predicting-the-potential-hazard-of-contaminants\/#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Home","item":"https:\/\/www.kwrwater.nl\/en\/"},{"@type":"ListItem","position":2,"name":"Predicting the potential hazard of contaminants"}]},{"@type":"WebSite","@id":"https:\/\/www.kwrwater.nl\/en\/#website","url":"https:\/\/www.kwrwater.nl\/en\/","name":"KWR","description":"Bridging science to practice in the watercycle","publisher":{"@id":"https:\/\/www.kwrwater.nl\/en\/#organization"},"potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/www.kwrwater.nl\/en\/?s={search_term_string}"},"query-input":{"@type":"PropertyValueSpecification","valueRequired":true,"valueName":"search_term_string"}}],"inLanguage":"en-US"},{"@type":"Organization","@id":"https:\/\/www.kwrwater.nl\/en\/#organization","name":"KWR Water Research Institute","url":"https:\/\/www.kwrwater.nl\/en\/","logo":{"@type":"ImageObject","inLanguage":"en-US","@id":"https:\/\/www.kwrwater.nl\/en\/#\/schema\/logo\/image\/","url":"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2016\/05\/kwr_logo.svg","contentUrl":"https:\/\/www.kwrwater.nl\/wp-content\/uploads\/2016\/05\/kwr_logo.svg","width":1,"height":1,"caption":"KWR Water Research Institute"},"image":{"@id":"https:\/\/www.kwrwater.nl\/en\/#\/schema\/logo\/image\/"},"sameAs":["https:\/\/www.facebook.com\/KWRwater\/","https:\/\/x.com\/KWR_water","https:\/\/www.instagram.com\/kwr_water\/","https:\/\/www.linkedin.com\/company\/kwr-watercycle-research-institute\/","https:\/\/www.youtube.com\/channel\/UCRPWFEEsC32DeP55thhLJQg\/"]},{"@type":"Person","@id":"https:\/\/www.kwrwater.nl\/en\/#\/schema\/person\/35e7ad3402a0f7700e3c8e2463ce6dd4","name":"KWR - YK","image":{"@type":"ImageObject","inLanguage":"en-US","@id":"https:\/\/www.kwrwater.nl\/en\/#\/schema\/person\/image\/","url":"https:\/\/secure.gravatar.com\/avatar\/6bee31fa868f905bdc3a283ba803ba1a?s=96&d=mm&r=g","contentUrl":"https:\/\/secure.gravatar.com\/avatar\/6bee31fa868f905bdc3a283ba803ba1a?s=96&d=mm&r=g","caption":"KWR - YK"},"url":"https:\/\/www.kwrwater.nl\/en\/actueel\/author\/yvonne\/"}]}},"_links":{"self":[{"href":"https:\/\/www.kwrwater.nl\/en\/wp-json\/wp\/v2\/posts\/63796","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.kwrwater.nl\/en\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.kwrwater.nl\/en\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.kwrwater.nl\/en\/wp-json\/wp\/v2\/users\/6"}],"replies":[{"embeddable":true,"href":"https:\/\/www.kwrwater.nl\/en\/wp-json\/wp\/v2\/comments?post=63796"}],"version-history":[{"count":3,"href":"https:\/\/www.kwrwater.nl\/en\/wp-json\/wp\/v2\/posts\/63796\/revisions"}],"predecessor-version":[{"id":63808,"href":"https:\/\/www.kwrwater.nl\/en\/wp-json\/wp\/v2\/posts\/63796\/revisions\/63808"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.kwrwater.nl\/en\/wp-json\/wp\/v2\/media\/63430"}],"wp:attachment":[{"href":"https:\/\/www.kwrwater.nl\/en\/wp-json\/wp\/v2\/media?parent=63796"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.kwrwater.nl\/en\/wp-json\/wp\/v2\/categories?post=63796"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.kwrwater.nl\/en\/wp-json\/wp\/v2\/tags?post=63796"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}