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  2. SMILES arbitrary target specification - Wikipedia

    en.wikipedia.org/wiki/Smiles_arbitrary_target...

    The Leatherface program [11] is a general purpose molecule editor which allows automated modification of a number of substructural features of molecules in databases, including protonation state, hydrogen count, formal charge, isotopic weight and bond order. The molecular editing rules used by Leatherface are defined in SMARTS.

  3. Parts-per notation - Wikipedia

    en.wikipedia.org/wiki/Parts-per_notation

    Parts-per notation is often used describing dilute solutions in chemistry, for instance, the relative abundance of dissolved minerals or pollutants in water.The quantity "1 ppm" can be used for a mass fraction if a water-borne pollutant is present at one-millionth of a gram per gram of sample solution.

  4. Chemical formula - Wikipedia

    en.wikipedia.org/wiki/Chemical_formula

    The Hill system (or Hill notation) is a system of writing empirical chemical formulae, molecular chemical formulae and components of a condensed formula such that the number of carbon atoms in a molecule is indicated first, the number of hydrogen atoms next, and then the number of all other chemical elements subsequently, in alphabetical order ...

  5. Simplified Molecular Input Line Entry System - Wikipedia

    en.wikipedia.org/wiki/Simplified_Molecular_Input...

    The Simplified Molecular Input Line Entry System (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.

  6. SYBYL line notation - Wikipedia

    en.wikipedia.org/wiki/SYBYL_line_notation

    The SYBYL line notation or SLN is a specification for unambiguously describing the structure of chemical molecules using short ASCII strings. SLN differs from SMILES in several significant ways. SLN can specify molecules, molecular queries, and reactions in a single line notation whereas SMILES handles these through language extensions.

  7. E–Z notation - Wikipedia

    en.wikipedia.org/wiki/E–Z_notation

    Alitretinoin. For organic molecules with multiple double bonds, it is sometimes necessary to indicate the alkene location for each E or Z symbol. For example, the chemical name of alitretinoin is (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid, indicating that the alkenes starting at positions 2, 4, and 8 are E while the one starting at position 6 is Z.

  8. List of character tables for chemically important 3D point groups

    en.wikipedia.org/wiki/List_of_character_tables...

    The finite group notation used is: Z n: cyclic group of order n, D n: dihedral group isomorphic to the symmetry group of an n–sided regular polygon, S n: symmetric group on n letters, and A n: alternating group on n letters. The character tables then follow for all groups.

  9. List of chemistry mnemonics - Wikipedia

    en.wikipedia.org/wiki/List_of_chemistry_mnemonics

    A mnemonic is a memory aid used to improve long-term memory and make the process of consolidation easier. Many chemistry aspects, rules, names of compounds, sequences of elements, their reactivity, etc., can be easily and efficiently memorized with the help of mnemonics.