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have five undefined stereocenters or less.
(5) Molecules with more than 6 undefined stereocenters were also removed because they need substantial computational resources to consider.
When undefined stereocenters were present, each stereo isomer was independently considered (maximum of 100,000 conformers each for up to 32 different SP3/SP2 stereo isomers) and all produced conformers combined.
(2) contains only organic [H, C, N, O, F, P, S, Cl, Br, and I] elements (3) possess only typical bonding situation (e.g., no hyper valent situations) (4) not too big (e.g., 50 non-hydrogen atoms or less) and not too flexible (e.g., 15 effective rotors or less) (5) have five undefined stereocenters or less . is a single covalent component.
Similar(55)
Completely or partially undefined sp3 stereocenters.
Some of the "Info" types: Covalent bonds connecting metals to non-metals Overall charge is non-zero Existence of certain functional groups (e.g., enol, non 1H-tetrazole, N = C-OH, N N = N) Adjacent atoms with like charges Completely or partially undefined sp3 stereocenters.
○ "completely undefined stereo – mixtures" for none of defined stereocenters and at least one undefined/unknown stereocenters.
Generic metabolites of a different type that are also found in metabolic reconstructions are generic stereoisomers, i.e., metabolites with undefined stereochemistry at one or more stereocenters.
It is undefined".
But annual is undefined.
which basically remains undefined.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com