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The content includes procedure writing, drawing chemical structures with ChemDraw, elemental analysis, computing molecular weight and m/z, predicting 1H-NMR and 13C-NMR, determining physical properties, converting names to structures, finding structures via Protein Data Bank, performing molecular docking, and viva-voce and model examinations. It also provides step-by-step ChemDraw Ultra 8.0 guidance for building organic structures and performing analysis.",{"@graph":69,"@context":121},[70,84,104],{"@type":71,"itemListElement":72},"BreadcrumbList",[73,77,79,82],{"item":74,"name":75,"@type":76,"position":8},"https://docshare.wps.com","Home","ListItem",{"item":78,"name":9,"@type":76,"position":14},"https://docshare.wps.com/document/",{"item":80,"name":30,"@type":76,"position":81},"https://docshare.wps.com/document/technology/",3,{"item":83,"name":65,"@type":76,"position":19},"https://docshare.wps.com/document/chemoinformatics-practical-cheminformatics-practicals-experiment/674337/",{"url":83,"name":65,"@type":85,"image":86,"author":91,"headline":65,"publisher":94,"fileFormat":97,"inLanguage":63,"description":67,"dateModified":98,"datePublished":98,"encodingFormat":97,"isAccessibleForFree":99,"interactionStatistic":100},"DigitalDocument",{"url":87,"@type":88,"width":89,"height":90},"https://docshare.wps.com/thumbnails/chemoinformatics-practical-cheminformatics-practicals-experiment/674337.png","ImageObject",300,407,{"name":92,"@type":93},"dbqoiu","Person",{"url":74,"name":95,"@type":96},"DocShare","Organization","application/pdf","2026-11-04",true,{"@type":101,"interactionType":102,"userInteractionCount":4},"InteractionCounter",{"@type":103},"ViewAction",{"@type":105,"mainEntity":106},"FAQPage",[107,113,117],{"name":108,"@type":109,"acceptedAnswer":110},"What are the main activities included in the Chemoinformatics practical lecture plan?","Question",{"text":111,"@type":112},"The plan covers procedure writing, drawing chemical structures using ChemDraw, elemental analysis with molecular weight and m/z, predicting 1H-NMR and 13C-NMR, determining melting/boiling-related properties, converting name-to-structure and structure-to-name, using Protein Bank for structure search, molecular docking, viva-voce, and model examinations.","Answer",{"name":114,"@type":109,"acceptedAnswer":115},"How do learners draw chemical structures in Experiment 1 using Chemdraw Ultra 8.0?",{"text":116,"@type":112},"Learners set up ChemDraw Pro, use the tool palette to draw single bonds and build structures (including rings like cyclohexane), connect substituents, create double bonds, and add functional groups such as OH by using the text tool and placing it on the target atom.",{"name":118,"@type":109,"acceptedAnswer":119},"What does the Analysis window provide in Experiment 2?",{"text":120,"@type":112},"The Analysis window displays chemical formula, exact mass, molecular weight, m/z values, and elemental analysis for the entire document, a selected structure or part of a structure, or a caption in Formula style, with decimal settings controlling precision for Exact Mass, Molecular Weight, and m/z.","https://schema.org",{"og:url":83,"og:type":123,"og:title":65,"og:site_name":95,"og:description":67},"article",{"robots":125,"canonical":83},"index,follow",{"doc_id":127,"site_id":62},674337,1793760930,{"code":4,"msg":5,"data":130},{"doc_id":127,"user_id":131,"nickname":92,"user_avatar":132,"doc_module":4,"category_id":29,"category_name":30,"doc_title":65,"doc_description":67,"doc_content":133,"file_id":134,"file_url":135,"file_type":136,"file_size":137,"view_count":4,"is_deleted":4,"is_public":8,"is_downloadable":8,"audit_status":8,"page_count":138,"language":139,"language_code":63,"site_id":62,"html_lang":63,"table_of_contents":140,"faqs":141,"seo_title":142,"seo_description":67,"update_tm":128,"read_time":36},3985747862462,"https://ap-avatar.wpscdn.com/davatar_3d24733baf745e90a7e4bdd5f77d97b2","KARPAGAM ACADEMY OF HIGHER EDUCATION  \n(Deemed to be University)  \n(Established Under Section 3 of UGC Act 1956)  \nCoimbatore – 641 021.  \n(For the candidates admitted from 2017 onwards)  \nDEPARTMENT OF CHEMISTRY  \nSUBJECT NAME: CHEMINFORMATICS-PRACTICAL SUBJECT CODE: 17CHU511A  \nSEMESTER: V CLASS: III B.Sc CHEMISTRY  \nProgramme objectives  \nThe course helps the student to  \n1. Understand and apply the applications ofchemiinformatics in drug design.  \nProgramme objectives  \nThe course enable the student to  \n1. Apply the applications ofchemiinformatics in drug design.  \nHands-on Exercises  \nApplication of Chemoinformatics in Drug Design  \nSuggested Readings  \nText Books:  \n1. Andrew R. Leach & Valerie, J. Gillet. (2007) . An introduction to Chemoinformatics. Springer: The Netherlands.  \n1. Gasteiger, J. & Engel, T. (2003) . Chemoinformatics: A text-book. Wiley-VCH.  \nReference Book  \n1. Gupta, S. P. (2011) . QSAR & Molecular Modeling. New Delhi: Anamaya Pub.  \nKARPAGAM ACADEMY OF HIGHER EDUCATION  \n(Deemed to be University)  \n(Established Under Section 3 of UGC Act 1956)  \nCoimbatore-641 021.  \n(For the candidates admitted from 2017 onwards)  \nDEPARTMENT OF CHEMISTRY  \nSUBJECT NAME: CHEMINFORMATICS-PRACTICALS SUBJECT CODE: 17CHU511A  \nSEMESTER: V CLASS: III B.Sc CHEMISTRY  \nLECTURE PLAN  \nTotal no. of hours: 48  \n\n| S.NO | LECTURE\u003Cbr>DURATION | TOPICS TO BE COVERED | SUPPORT MATERIALS |\n| --- | --- | --- | --- |\n| 1. | 3 | Procedure writing | W |\n| 2. | 3 | Drawing Chemical structure using chemdraw | W |\n| 3. | 3 | Elemental Analysis, Molecular weight & m/z values | W |\n| 4. | 3 | Predict the 1 H-NMR using chemdraw | W |\n| 5. | 3 | Predict the C 13-NMR using chemdraw | W |\n| 6. | 3 | Determination of chemical properties, melting point and boiling point etc | W |\n| 7. | 3 | Convert name into structure and vice versa | W |\n| 8. | 3 | Find the structure using protein bank |  |\n| 9. | 3 | Molecular docking |  |\n| 10. | 3 | Viva-voce |  |\n| 11. | 3 | Model examination |  |\n| 12. | 3 | Model examination |  |\n\nW: [www.kj-gibbs.uio.no/kjemi/manuals/chemBioDraw10-](www.kj-gibbs.uio.no/kjemi/manuals/chemBioDraw10-)E.pdf  \nExperiment.1  \nDraw the chemical structure using Chemdraw  \nAim  \nTo learn how to draw the chemical structure of the organic compounds using Chemdraw Ultra 8.0 software  \nTutorial on the Use of ChemDraw.  \nOn the laptop, double click on the Macintosh HD icon. Double click on the Applications folder and look for the CS ChemOffice 2004 folder. Double click on the CS ChemDraw Pro icon.  \n(Alternatively, if the ChemDraw icon is present in the dock, you may simply select that.)  \nTo insert structures or reactions into another document such as Word, select the structuresor reactions as described below, then copy and paste into the document.  \nOn the left is a tool palette. This is where you choose various tools for drawing structures.  \nSelect the single bond tool (straight line) and click in the main window. A bond will be drawn. This is actually a line representation of Ethane, CH3-CH3 . Click on one end of the bond. A second bond forms. This would be propane, CH3-CH2-CH3. Next click on the end of a bond and instead of letting the mouse button go, drag the mouse around. This will add another carbon but it allows you to place it at a different angle. Letting it add the carbon by itself produces a “normal-looking” structure.  \nSelect the six-membered ring (cyclohexane) and click in the main window. A cyclohexane line drawing is produced. You can select the single bond tool and connect a CH3 to one of the carbons of cyclohexane to make methylcyclohexane.  \nSelecting and moving objects. Select the lasso or marquee tool and click on a molecule. One click selects an atom or bond and double clicking selects the entire molecule. Several molecules and objects may be selected by surrounding the objects with one of the selection tools. The selection may be moved around by dragging it with the mouse.  \nTo make a double bond, you can s","cbCaioR6r4cFQDbJ","https://ap.wps.com/l/cbCaioR6r4cFQDbJ","pdf",1152012,16,"English","# Lecture Plan\n## Total Hours and Topics to Be Covered\n# Experiment 1: Draw Chemical Structure Using Chemdraw\n## Aim and Software Setup\n## Drawing Bonds, Rings, and Functional Groups\n## Result\n# Experiment 2: Elemental Analysis, Molecular Weight, and m/z Values\n## Aim and Analysis Window Functions\n## Key Properties (Formula, Exact Mass, Molecular Weight, m/z)","[{\"question\":\"What are the main activities included in the Chemoinformatics practical lecture plan?\",\"answer\":\"The plan covers procedure writing, drawing chemical structures using ChemDraw, elemental analysis with molecular weight and m/z, predicting 1H-NMR and 13C-NMR, determining melting/boiling-related properties, converting name-to-structure and structure-to-name, using Protein Bank for structure search, molecular docking, viva-voce, and model examinations.\"},{\"question\":\"How do learners draw chemical structures in Experiment 1 using Chemdraw Ultra 8.0?\",\"answer\":\"Learners set up ChemDraw Pro, use the tool palette to draw single bonds and build structures (including rings like cyclohexane), connect substituents, create double bonds, and add functional groups such as OH by using the text tool and placing it on the target atom.\"},{\"question\":\"What does the Analysis window provide in Experiment 2?\",\"answer\":\"The Analysis window displays chemical formula, exact mass, molecular weight, m/z values, and elemental analysis for the entire document, a selected structure or part of a structure, or a caption in Formula style, with decimal settings controlling precision for Exact Mass, Molecular Weight, and m/z.\"}]","Chemoinformatics-PRACTICAL - CHEMINFORMATICS-PRACTICALS - Experiment | PDF"]