Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory
Year: 2018
Type: article
Abstract: The Chematica program was used to autonomously design synthetic pathways to eight structurally diverse targets, including seven commercially valuable bioactive substances and one natural product. All of these computer-planned routes were successfully executed in the laboratory and offer significant yield improvements and cost savings over previous approaches, provide alternatives to patented routes, or produce targets that were not synthesized previously.
Source: Chem
Authors: Tomasz Klucznik, Barbara Mikulak-Klucznik, Michael P. McCormack, Heather Lima, Sara Szymkuć, Manishabrata Bhowmick, Karol Molga, Yubai Zhou, Lindsey Rickershauser, Ewa P. Gajewska, Alexei Toutchkine, Piotr Dittwald, Michał P. Startek, Gregory J. Kirkovits, Rafał Roszak, Ariel Adamski, Bianka Sieredzińska, Milan Mrksich, Sarah L.J. Trice, Bartosz A. Grzybowski
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $9,350
OpenAlex ID: W2789615344