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In recent years, the growth of scientific data and the increasing need for data sharing and collaboration in the field of environmental chemistry has led to the creation of various software and databases that facilitate research and development into the safety and toxicity of chemicals. The US-EPA Center for Computational Toxicology and Exposure has been developing software and databases that serve the chemistry community for many years. This presentation will focus on several web-based software applications which have been developed at the USEPA and made available to the community. While the primary software application from the Center is the CompTox Chemicals Dashboard almost a dozen proof-of-concept applications have been built serving various capabilities. The publicly accessible Cheminformatics Modules (https://www.epa.gov/chemicalresearch/cheminformatics) provides access to six individual modules to allow for hazard comparison for sets of chemicals, structure-substructure-similarity searching, structure alerts and batch QSAR prediction of both physicochemical and toxicity endpoints. A number of other applications in development include a chemical transformations database (ChET) and a database of analytical methods and open mass spectral data (AMOS). Each of these depends on the underlying DSSTox chemicals database, a rich source of chemistry data for over 1.2 million chemical substances. I will provide an overview of all tools in development and the integrated nature of the applications based on the underlying chemistry data. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.
Chemistry Data Delivery from the US-EPA Center for Computational Toxicology a...
Chemistry Data Delivery from the US-EPA Center for Computational Toxicology a...
US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure
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MSCII_ FCT UNIT 5 TOXICOLOGY.pdf
MSCII_ FCT UNIT 5 TOXICOLOGY.pdf
Suchita Rawat
1. Introduction 2. Structure Elucidation 3. Wallach Degraded Oxidation 4. Synthesis 5. Spectroscopic Characterization 6. IR spectroscopy 7. H-NMR spectroscopy 8. C-NMR spectroscopy 9. Mass spectrometry 10. Application and uses. 11. Organic Reactions 1. Oxidation 2. Hydrogenation 3. Lactonisation 4. Cyclisation
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MuhammadRazzaq31
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Areesha Ahmad
Large language models (LLMs) are in the spotlight. Laypeople are aware of and are using the LLMs such as OpenAI’s ChatGPT and Google’s Gemini on a daily basis. While companies are exploring new business opportunities, researchers have gained access to an unprecedented scientific playground that allows for fast experimentation with limited resources and immediate results. In this talk, using concrete examples from requirements engineering, I am going to put forward several research opportunities that are enabled by the advent of LLMs. I will show how LLMs, as a key example of modern AI, unlock research topics that were deemed as too challenging until recently. Then, I will critically discuss the perils that we face when it comes to planning, conducting, and reporting on credible research results following a rigorous scientific approach. This talk will stress the inherent tension between the exciting affordances offered by this new technology, which include the ability to generate non-factual outputs (fiction), and our role and societal responsibility as information scientists.
Information science research with large language models: between science and ...
Information science research with large language models: between science and ...
Fabiano Dalpiaz
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NUMERICAL Proof Of TIme Electron Theory.
NUMERICAL Proof Of TIme Electron Theory.
syedmuneemqadri
A leaf is a principal appendage of the stem of a vascular plant, usually borne laterally aboveground and specialized for photosynthesis. Leaves are collectively called foliage, as in "autumn foliage", while the leaves, stem, flower, and fruit collectively form the shoot system A leaf is made up of three main parts: the blade (lamina), the petiole (leaf stalk), and the stipules. The blade is the flat, green surface of the leaf, and is made up of veins and veinlets. The petiole is a long, thin stalk that connects the blade to the stem. The stipules are two small leaf-like structures located on either side of the petiole base.
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ANATOMY OF DICOT AND MONOCOT LEAVES.pptx
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intarciacompanies
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X-rays from a Central “Exhaust Vent” of the Galactic Center Chimney
X-rays from a Central “Exhaust Vent” of the Galactic Center Chimney
Sérgio Sacani
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Adaptive Restore algorithm & importance Monte Carlo
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Christian Robert
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Vital Signs of Animals Presentation By Aftab Ahmed Rahimoon
Vital Signs of Animals Presentation By Aftab Ahmed Rahimoon
AftabAhmedRahimoon
This gives info about the racemization and isomerization of the tris chelate complex and its mechanisms.
RACEMIzATION AND ISOMERISATION completed.pptx
RACEMIzATION AND ISOMERISATION completed.pptx
ArunLakshmiMeenakshi
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byp19971001
This document details the costs incurred to heap leach gold ore tailings
Costs to heap leach gold ore tailings in Karamoja region of Uganda
Costs to heap leach gold ore tailings in Karamoja region of Uganda
TimothyOkuna
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MSC IV_Forensic medicine - Mechanical injuries.pdf
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Suchita Rawat
Presenter: Andrew Schroeder, PhD. Project Manager & Senior Data Curator, 4D Nucleome Data Coordination and Integration Center (4DN-DCIC), Park Lab, Department of Biomedical Informatics, Harvard Medical School Abstract The Common Fund 4D Nucleome program, currently in its 9th year, is a consortium of researchers that aims to understand the principles behind the three-dimensional organization of the nucleus and how this organization can change over time to affect a variety of cellular processes. The 4DN Data Portal (data.4dnucleome.org) is an expanding resource hosting data generated by the 4DN Network and other reference nucleomics data sets. The portal provides tools for search, exploration, visualization, and download. An overview of the data portal, highlighting available data, how it can be found, visualized and used for analyses will be presented. The top 3 key questions that the 4DN data portal can answer: 1. Are there significant sites of long-range chromatin contacts near my gene or region of interest? 2. What omics datasets are available for my tissue of interest? 3. Are there imaging datasets available that are relevant to my tissue of interest? Upcoming webinars schedule: https://dknet.org/about/webinar
dkNET Webinar: The 4DN Data Portal - Data, Resources and Tools to Help Elucid...
dkNET Webinar: The 4DN Data Portal - Data, Resources and Tools to Help Elucid...
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dkNET Webinar: The 4DN Data Portal - Data, Resources and Tools to Help Elucid...
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