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UID:20260318T193702EDT-2376A0onIb@132.216.98.100
DTSTAMP:20260318T233702Z
DESCRIPTION:Abstract:\n\nIn a continuously evolving landscape of in silico 
 chemical intelligence and machine learning\, computer assisted synthetic p
 lanning has come to the forefront of discussion in the cheminformatics spa
 ce. Herein\, we describe an experiment in which SYNTHIA™ (developed under 
 the name ‘Chematica’)\, a retrosynthetic design software\, was used to pla
 n synthetic pathways of eight structurally diverse bioactive and natural p
 roducts. In each instance\, the computer-planned routes were not only exec
 uted successfully in the laboratory\, but also offered significant improve
 ments over previous routes\, circumvented patented routes and/or produced 
 targets not synthesized previously. Chematica’s unique approach to buildin
 g their expert database of known reactions by hand coding each transformat
 ion has allowed this tool to become a bench chemist’s ally by ‘learning’ c
 hemistry much like a chemist would themselves\, and suggesting diverse pat
 hways towards their targets\, thus generating ideas and providing cost eff
 ective routes based on each user’s unique needs. As a product of over 15 y
 ears of research\, this unique tool is poised to not only get better with 
 time\, but also revolutionize the way chemists approach designing pathways
  to their complex targets.\n\nBio:\n\nSarah Trice spent most of her early 
 career as a research scientist in medicinal chemistry at Merck & Co.\, Wes
 t Point PA. After earning her PhD in organic chemistry from the University
  of Pennsylvania\, Sarah transitioned into a business role with an emphasi
 s on chemical technology enablement at MilliporeSigma. She served as the H
 ead of Chemical Synthesis Innovation for MilliporeSigma before moving on t
 o manage the commercial development of Synthia\, an advanced retrosynthesi
 s design software for pharmaceutical chemists. She is currently the managi
 ng director of the Cheminformatics Business Unit.\n
DTSTART:20190430T170000Z
DTEND:20190430T183000Z
LOCATION:Room 10\, Maass Chemistry Building\, CA\, QC\, Montreal\, H3A 0B8\
 , 801 rue Sherbrooke Ouest
SUMMARY:Chemical Society Seminar: Sarah Trice - Synthia™ Retrosynthetic sof
 tware for practicing chemists: Novel and efficient in silico pathway desig
 n validated at the bench
URL:/chemistry/channels/event/chemical-society-seminar
 -sarah-trice-synthiatm-retrosynthetic-software-practicing-chemists-novel-a
 nd-293053
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