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Aprende Challenge: Parse SMILES Strings | Molecular Representations and Parsing
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Python for Chemoinformatics

bookChallenge: Parse SMILES Strings

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Write a function that takes a single SMILES string and returns the number of atoms in that molecule. SMILES (Simplified Molecular Input Line Entry System) strings are text representations of molecules, where each atom is represented by its atomic symbol (like C for carbon, O for oxygen, Cl for chlorine, etc.). For this task, count only the atoms represented by their symbols, ignoring ring closures, bond symbols, and parentheses.

  • Accept a single SMILES string as input.
  • Count the number of atomic symbols present, including both single-letter and common two-letter symbols.
  • Ignore digits, bond symbols (-, =, #, :, (, ), /, \) and any other non-atom characters.
  • Return the total atom count for the molecule.

Solución

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Sección 1. Capítulo 2
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single

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bookChallenge: Parse SMILES Strings

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Tarea

Swipe to start coding

Write a function that takes a single SMILES string and returns the number of atoms in that molecule. SMILES (Simplified Molecular Input Line Entry System) strings are text representations of molecules, where each atom is represented by its atomic symbol (like C for carbon, O for oxygen, Cl for chlorine, etc.). For this task, count only the atoms represented by their symbols, ignoring ring closures, bond symbols, and parentheses.

  • Accept a single SMILES string as input.
  • Count the number of atomic symbols present, including both single-letter and common two-letter symbols.
  • Ignore digits, bond symbols (-, =, #, :, (, ), /, \) and any other non-atom characters.
  • Return the total atom count for the molecule.

Solución

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¿Todo estuvo claro?

¿Cómo podemos mejorarlo?

¡Gracias por tus comentarios!

Sección 1. Capítulo 2
single

single

some-alt