Master the Morgan Algorithm and SEMA Method
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Questions and Answers

Which field of information technology uses computers and computer programs to facilitate the collection, storage, analysis, and manipulation of large quantities of chemical data?

  • Metabolomics
  • Chemoinformatics (correct)
  • Bioinformatics
  • Chemical Genomics

    • What are the central concepts behind chemoinformatics?

  • Bioinformatics and cheminformatics
  • Molecular biology and systems biology
  • Chemical genomics and metabolomics
  • Structure-activity relationships (QSAR) and compound property prediction (QSPR) (correct)

    • How are chemical structures usually stored in a computer?

  • As text files
  • As images
  • As molecular graphs (correct)
  • As spreadsheets

    • Which of the following is NOT a type of variation seen in Markush structures?

    <p>Sequence variation</p> Signup and view all the answers

    In the three stages of the search system, which stage involves matching fragments against homologous series identifiers?

    <p>Search based on a reduced graph representation</p> Signup and view all the answers

    What is the purpose of fragment-screening in the search system?

    <p>To identify common fragments in specific structures</p> Signup and view all the answers

    What is the recommended tool for generating the SMILES string and InChI representation of compounds in Lagundi?

    <p>ChemDraw</p> Signup and view all the answers

    Which algorithm is an extension of the Morgan algorithm and incorporates stereochemistry information?

    <p>The SEMA method</p> Signup and view all the answers

    What is the initial connectivity value assigned to each atom in the Morgan algorithm?

    <p>The number of connected atoms</p> Signup and view all the answers

    Which algorithm uses similar principles to the Morgan algorithm to produce a canonical ordering of atoms in a graph?

    <p>The CANGEN algorithm</p> Signup and view all the answers

    What is the purpose of a hash key in structure searching?

    <p>To retrieve information about a structure directly from a database</p> Signup and view all the answers

    Which of the following is true about a molecular graph?

    <p>The nodes correspond to the atoms and the edges correspond to the bonds.</p> Signup and view all the answers

    What does a subgraph represent in a graph?

    <p>A graph that is a subset of another graph.</p> Signup and view all the answers

    What is true about a tree in graph theory?

    <p>It has a starting point called the root node.</p> Signup and view all the answers

    What is true about isomorphic graphs?

    <p>They have the same number of nodes and edges.</p> Signup and view all the answers

    Which algorithm uses adjacency matrices to represent the molecular graphs of the query substructure and the molecule?

    <p>Ullmann algorithm</p> Signup and view all the answers

    What value is assigned to elements (i, j) and (j, i) of the adjacency matrix if atoms i and j are bonded?

    <p>1</p> Signup and view all the answers

    What is the aim of finding matching matrices in subgraph isomorphism?

    <p>To find matching matrices with each row containing just one element '1' and each column containing only one element '1'</p> Signup and view all the answers

    What is the purpose of the Smallest Set of Smallest Rings (SSSR) in chemistry?

    <p>To identify the set of rings from which all others in the molecular graph can be constructed</p> Signup and view all the answers

    Which algorithm is not used to generate a unique SMILES string for each molecule?

    <p>Canonical SMILES algorithm</p> Signup and view all the answers

    What is the purpose of substructure searching?

    <p>To identify all molecules in the database that contain a specified substructure</p> Signup and view all the answers

    What is the purpose of the bitstring representation in screening methods?

    <p>To rapidly eliminate molecules that cannot possibly match the substructure query</p> Signup and view all the answers

    What does a hash key represent in structure searching?

    <p>The physical location on the computer disk where the data associated with a structure is stored</p> Signup and view all the answers

    What is the purpose of the Smallest Set of Smallest Rings (SSSR) in chemistry?

    <p>To identify the rings containing the fewest atoms</p> Signup and view all the answers

    What is the purpose of a connection table in chemoinformatics?

    <p>To communicate the molecular graph to and from the computer.</p> Signup and view all the answers

    What is the purpose of a canonical representation in chemoinformatics?

    <p>To establish whether two connection tables or two SMILES strings represent the same chemical structure.</p> Signup and view all the answers

    Which of the following is NOT a type of variation seen in Markush structures?

    <p>Stereochemistry variation</p> Signup and view all the answers

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