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0.055321138352155685,
0.08715309202671051,
0.051230624318122864,
-0.007185874506831169,
-0.0028602296952158213,
-0.019472327083349228,
0.08041247725486755,
0.02335149422287941,
-0.00031488059903495014,
0.0526413656771183,
-0.08889172971248627,
0.025196772068738937,
-0.09965430200099945,
-0.027734460309147835,
0.015433902852237225,
-0.01412095408886671,
-0.04870342090725899,
0.0643862932920456,
-0.03146461397409439,
-0.02754836529493332,
0.010632028803229332,
0.09353336691856384,
0.024411171674728394,
-0.02062670700252056,
0.06963269412517548
] | 1.450189 | 7 | ||
24277-A09-1 | 25968-A09-6 | CNCCCCOc1ccccc1Cc1ccccc1 | [
7.104438304901123,
3.821113348007202
] | [
-0.9387895464897156,
6.581084251403809
] | [0.05216533690690994,0.07193081080913544,-0.006847310345619917,-0.04260228946805,0.00345442653633654(...TRUNCATED) | [0.0039057035464793444,0.11436782032251358,-0.023031484335660934,-0.0064859213307499886,-0.073008619(...TRUNCATED) | 1.051024 | 8 | ||
24277-A10-1 | 24309-A10-5 | N\C(Sc1ccccc1N)=C(C#N)/C(C#N)=C(\N)Sc1ccccc1N | [
10.674628257751465,
5.460585594177246
] | [
0.4057641327381134,
5.49997615814209
] | [-0.06238682195544243,0.05699945241212845,-0.08949021250009537,-0.013046648353338242,0.0139310229569(...TRUNCATED) | [0.05330954119563103,0.014369633048772812,0.005440431647002697,0.057993970811367035,0.02155556343495(...TRUNCATED) | 1.348276 | 9 |
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This is a mirror to the example dataset for the "CLOOME: a new search engine unlocks bioimaging databases for queries with chemical structures" paper by Sanchez-Fernandez et al.
Paper: https://www.biorxiv.org/content/10.1101/2022.11.17.516915v1
Code: https://github.com/ml-jku/cloome
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