From: Charles Date: Tue, 8 Dec 2020 08:42:14 +0000 (+0900) Subject: Café X-Git-Url: https://source.charles.plessy.org/?a=commitdiff_plain;h=0f036fdcbc462f1f0b20e6067a35e0e925a3390f;p=source%2F.git Café --- diff --git a/biblio/33049755.mdwn b/biblio/33049755.mdwn new file mode 100644 index 00000000..598e30d8 --- /dev/null +++ b/biblio/33049755.mdwn @@ -0,0 +1,10 @@ +[[!meta title="Computational planning of the synthesis of complex natural products."]] +[[!tag automation]] + +Mikulak-Klucznik B, Gołębiowska P, Bayly AA, Popik O, Klucznik T, Szymkuć S, Gajewska EP, Dittwald P, Staszewska-Krajewska O, Beker W, Badowski T, Scheidt KA, Molga K, Mlynarski J, Mrksich M, Grzybowski BA. + +Nature. 2020 Dec;588(7836):83-88. doi:10.1038/s41586-020-2855-y + +Computational planning of the synthesis of complex natural products. + +[[!pmid 33049755 desc="Searches for the shortest path in a graph of compounds. “computational synthesis planning”. “the program has been taught [100,000] mechanism-based reaction rules” “inclusion of [...] heuristics that prescribe how to strategize over multiple steps, taking into account how certain reaction choices imply succession (or elimination) of other transformations.” “allowing [...] to overcome local maxima” In a “Turing test“, evaluators could not distinguish plannings made by human and those made by the program. “When needed, organic chemists performing the syntheses were allowed to adjust reaction conditions [...] for the sake of optimization.”"]] diff --git a/tags/automation.mdwn b/tags/automation.mdwn index 6dc18731..082ef04b 100644 --- a/tags/automation.mdwn +++ b/tags/automation.mdwn @@ -4,6 +4,8 @@ “A mobile robotic chemist” ([[Burger and coll., 2020|biblio/32641813]]). +Computational planning of the synthesis of complex natural products. ([[Mikulak-Klucznik and coll., 2020|biblio/33049755]]). + The use of laboratory automation in synthetic biology studied by a sociologist: [[Meckin 2020|biblio/32904024]]. [[!inline pages="tagged(automation)" limit=0]]