Description: Das Projekt "Computergestuetzte molekulare Bewertung der Toxizitaet" wird vom Umweltbundesamt gefördert und von Universität-Gesamthochschule Paderborn, Fachgebiet Mathematische Methoden, Abteilung Soest durchgeführt. General Information: We are more and more aware of the need to understand and predict the consequences of the chemicals on the health of human beings and the wild life. Using conventional methods, the assessing of toxic and ecotoxic risks should need funds, time and resources that are not available to solve in detail all the problems related with the increasing number of chemicals. On the other side many data and experiments are available, on thousands of chemicals. Further important information can be obtained from molecular descriptors. Molecular parameters and descriptors have been often used to describe, understand, model and predict the behaviour of chemicals in certain phenomena The explosion of information requires a radical change in the way to deal with the data of information. Artificial intelligence (AI) has been used in a few cases for toxicity prediction and expert systems (ES) in this field have been produced. Today, techniques such as inductive learning algorithms, fuzzy logic, artificial neural networks (ANN) and evolutionary algorithms (EA) can be used to model processes and phenomena with a non-linear behaviour. No studies have been done to compare all the techniques so far introduced using the same set of compounds. This research will focus on the relationship between chemicals and their toxic and ecotoxic effects investigated through updated computerized approaches. The major objective of the COMET is to extract as much as possible information from the already available knowledge, from toxicity and ecotoxicity databases and suitable molecular descriptors, using advanced computer approaches such as fuzzy logic, ANN, EA, inductive leaming logarithms and AI. This implies two separate objectives. A) Previous studies to predict toxicity used or another toxic activity (correlation studies in most of the cases) or molecular descriptors generally QSAR studies). COMET will use both source of knowledge, combining them. In other words, known toxic activities and molecular descriptors will be used to predict an unknown toxicity. B) Another important objective of COMET is to compare the different computer approaches, to have a better, more systematic knowledge on the performances, capabilities, advantages and disadvantages of the different systems. Since no comparative studies of the results obtained with the same large set of compounds using so many and different approaches have been presented, we think that COMET will significantly contribute to improve the knowledge on some of the specific objectives of the Programme in Areas 2.2.1.1 and 2.2.1.2. Particular attention will be paid to problems of chemical industries interested in toxic and ecotoxic assessment of their products such as pesticides, both in the development of the systems and in their validation... Prime Contractor: Instituto di Richerche Farmacologische Mario Negri, Laboratorio di Farmacologia e Tossicologia Ambientali; Lombardia/Italy.
Types:
SupportProgram
Origin: /Bund/UBA/UFORDAT
Tags: Schädlingsbekämpfungsmittel ? Soest ? Pestizid ? Chemische Industrie ? Meteorologie ? Pflanzensamen ? Schadstoffwirkung ? Ökotoxikologische Bewertung ? Ökotoxizität ? Software ? Struktur-Wirkung-Beziehung ? Toxin ? Umweltchemikalien ? Chemikalien ? Daten ? Künstliche Intelligenz ? Literaturauswertung ? Studie ? Toxikologie ? Toxikologische Bewertung ? Vergleichsanalyse ? Modellierung ? Chemische Stoffeigenschaft ? Wildlebende Tiere und Pflanzen ? Datenbank ? Explosion ? Mathematische Methode ? Ressource ? Risiko ? Sicherheit ? Umweltschutz ? Fuzzy-Logik ?
Region: Nordrhein-Westfalen
Bounding box: 6.76339° .. 6.76339° x 51.21895° .. 51.21895°
License: cc-by-nc-nd/4.0
Language: Deutsch
Time ranges: 1998-01-01 - 2000-12-31
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