Route design in the 21st century: The IC SYNTH software tool as an idea generator for synthesis prediction

Route design in the 21st century: The IC SYNTH software tool as an idea generator for synthesis prediction. Bøgevig, A., Federsel, H. J., Huerta, F., Hutchings, M. G., Kraut, H., Langer, T., Löw, P., Oppawsky, C., Rein, T., & Saller, H. Organic Process Research and Development, 19(2):357–368, 2015. ISBN: 1083-6160
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The new computer-aided synthesis design tool ICSYNTH has been evaluated by comparing its performance in predicting new ideas for route design to that of historical brainstorm results on a series of commercial pharmaceutical targets, as well as literature data. Examples of its output as an idea generator are described, and the conclusion is that it adds appreciable value to the performance of the professional drug research and development chemist team.\nThe new computer-aided synthesis design tool ICSYNTH has been evaluated by comparing its performance in predicting new ideas for route design to that of historical brainstorm results on a series of commercial pharmaceutical targets, as well as literature data. Examples of its output as an idea generator are described, and the conclusion is that it adds appreciable value to the performance of the professional drug research and development chemist team.

@article{bogevig_route_2015,
	title = {Route design in the 21st century: {The} {IC} {SYNTH} software tool as an idea generator for synthesis prediction},
	volume = {19},
	issn = {1520586X},
	doi = {10.1021/op500373e},
	abstract = {The new computer-aided synthesis design tool ICSYNTH has been evaluated by comparing its performance in predicting new ideas for route design to that of historical brainstorm results on a series of commercial pharmaceutical targets, as well as literature data. Examples of its output as an idea generator are described, and the conclusion is that it adds appreciable value to the performance of the professional drug research and development chemist team.{\textbackslash}nThe new computer-aided synthesis design tool ICSYNTH has been evaluated by comparing its performance in predicting new ideas for route design to that of historical brainstorm results on a series of commercial pharmaceutical targets, as well as literature data. Examples of its output as an idea generator are described, and the conclusion is that it adds appreciable value to the performance of the professional drug research and development chemist team.},
	number = {2},
	journal = {Organic Process Research and Development},
	author = {Bøgevig, Anders and Federsel, Hans Jürgen and Huerta, Fernando and Hutchings, Michael G. and Kraut, Hans and Langer, Thomas and Löw, Peter and Oppawsky, Christoph and Rein, Tobias and Saller, Heinz},
	year = {2015},
	note = {ISBN: 1083-6160},
	pages = {357--368},
}

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