Chris
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Hi,
I'm having an issue with the Combinatorial Reaction Enumeration (beta)
KNIME node. This node is only outputting a subset of the possible
reactions.
I have entered an RXN profile and SDF data for 3 alkenes and 3 amines
into the combinatorial reaction enumerator, and I only get 6 products
out, instead of the 9 that would be expected. The even-numbered
reaction rows are present in the output (Reaction0, Reaction2,
Reaction4, Reaction6 and Reaction8) but the odd numbered reaction rows
(Reaction1, Reaction3, Reaction5 and Reaction7) are missing! I would
be really grateful if this bug could be fixed, please.
Many thanks in advance,
Chris
p.s. Sorry for cross-posting this bug here and in the KNIME forum. I'm
not sure whether this is the right place to talk about this issue, and
I apologise if it isn't...