Sökning: "in silico tools"

Visar resultat 1 - 5 av 35 avhandlingar innehållade orden in silico tools.

  1. 1. In silico tools in risk assessment : of industrial chemicals in general and non-dioxin-like PCBs in particular

    Författare :Mia Stenberg; Patrik Andersson; Miriam Jacobs; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemometrics; industrial chemicals; in silico tools; molecular descriptors; non-dioxin-like PCBs; partial least-squares PLS ; principal component analysis PCA ; quantitative structure-activity relationship QSAR ; REACH; risk assessment RA ; statistical molecular design; structure-activity relationship SAR ;

    Sammanfattning : Industrial chemicals in European Union produced or imported in volumes above 1 tonne annually, necessitate a registration within REACH. A common problem, concerning these chemicals, is deficient information and lack of data for assessing the hazards posed to human health and the environment. LÄS MER

  3. 2. Development of Methods for Assessing Unbound Drug Exposure in the Brain : In vivo, in vitro and in silico

    Författare :Markus Fridén; Margareta Hammarlund-Udenaes; Ulf Bredberg; Yuichi Sugiyama; Uppsala universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Blood-brain barrier; Drug transport; Tissue distribution; Transporters; Pharmacokinetics; Other pharmacy; Övrig farmaci; Biopharmacy; Biofarmaci; Pharmaceutical pharmacology; Farmaceutisk farmakologi; Pharmacokinetics and Drug Therapy; Farmakokinetik och läkemedelsterapi;

    Sammanfattning : The blood-brain barrier is formed by tightly joined capillary cells with transporter proteins and acts as to regulate the brain concentration of nutrients as well as many drugs. When developing central nervous system drugs it is necessary to measure the unbound drug concentration in the brain, i.e. the unbound brain exposure. LÄS MER

  4. 3. Development of in silico methods to aid chemical risk assessment : focusing on kinetic interactions in mixtures

    Författare :Elena Golosovskaia; Patrik L. Andersson; Stefan Örn; Patrik Rydén; Ester Papa; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; QSAR; physiologically based kinetic; PBK; zebrafish; ADME; mixture; bisphenols; PFAS; toxicokinetics; environmental science; miljövetenskap; Toxicology; toxikologi;

    Sammanfattning : The environment and biota are constantly exposed to numerous chemicals through contaminated food, soil, water, and air. These chemicals can be taken up and distributed to reach sensitive tissues where they may cause various effects. Many of these chemicals lack data on their environmental and human health effects. LÄS MER

  5. 4. Improving alternatives assessment of plastic additives : exploring in silico tools to identify less hazardous flame retardants

    Författare :Ziye Zheng; Patrik L. Andersson; Hans Peter Arp; Gregory Peters; Gerrit Schüürmann; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Chemical alternatives assessment; plastic additives; flame retardants; hazard; emission; in silico; modeling; quantitative structure-activity relationship QSAR ; multi-criteria decision analysis MCDA ; environmental science; miljövetenskap; organisk kemi; Organic Chemistry; ekotoxikologi; Ecotoxicology; Toxicology; toxikologi;

    Sammanfattning : Alternatives assessment is applied for replacing hazardous chemicals with viable, safer substitutes. High quality experimental hazard data, however, are usually unavailable for this purpose, and obtaining in silico data is the only approach to fill in data gaps. LÄS MER

  7. 5. On striatum in silico

    Författare :Johanna Frost Nylén; Karolinska Institutet; Karolinska Institutet; []
    Nyckelord :;

    Sammanfattning : The basal ganglia are a collection of subcortical nuclei involved in movement and action selection. The striatum is the main input nucleus with extensive projections from the cortex and thalamus, and dopaminergic projections from SNc and VTA. LÄS MER