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Exclusion Flag
Greg Landrum edited this page Dec 4, 2019
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The purpose of the exclusion flag is to allow molecules containing types that cannot currently be properly standardized to be skipped.
Conditions setting the exclude flag
- Presence of any atom from this list:
[ "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Ga", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Cd", "In", "Sn", "La", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "Ac", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Ge", "Sb",] - Presence of more than 7 boron atoms