Café

diff --git a/biblio/33049755.mdwn b/biblio/33049755.mdwn
new file mode 100644 (file)
index 0000000..598e30d
--- /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 6dc187317e6e3c4da55933eb49f3b51114e222c7..082ef04ba5a09b4e1f9804e611593a8d15464191 100644 (file)
--- 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]]