SMILES (Simplified Molecular Inpute Line Entry System)
μ‘°μ§μ μΈ ννλͺ μ μ¬μ©νλ λμ , κ°κ²°ν λ°©λ²μΌλ‘ λΆμλ₯Ό νννλ λ°©λ². μλ‘μ΄ μ’ λ₯μ νν ꡬ쑰λ₯Ό λΉ λ₯΄κ³ μ½κ² μμ±ν μ μλ€.
κ·μΉ 6κ°μ§
- κ° μμλ νμ€ μμκΈ°νΈλ‘ λνλΈλ€.
- μμ μμλ νκΈ°λ₯Ό μλ΅νλ€.
- μ΄μμ μμΉν μμλ μλ‘ κ²°ν©λμ΄ μλ€.
- μ΄μ€κ²°ν©μ "="μΌλ‘, μΌμ€κ²°ν©μ "#"μΌλ‘ νκΈ°νλ€.
- κ²°ν© κ°μ§λ κ΄νΈλ‘ νκΈ°νλ€.
- κ³ λ¦¬ ꡬ쑰λ μλ‘ μ°κ²°λμ΄ μλ μμμ μ«μλ‘ νμνλ€.
μΆμ²: en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system
Simplified molecular-input line-entry system - Wikipedia
From Wikipedia, the free encyclopedia Jump to navigation Jump to search ASCII line notation for the structure of chemical species SMILES generation algorithm for Ciprofloxacin: break cycles, then write as branches off a main backbone The simplified molecul
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