Unverified50% confidenceFactExact time
Randomizing only the fragment order of SAFE achieves just one-seventh of the genuinely novel molecule yield of simultaneous dual-axis randomization.
1
Sources
50%
Confidence
Long-term
Relevance
10/30/2026
First Seen
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Related Claims
UnverifiedWith only 1000 molecules of training data, randomized SAFE representations increase the yield of genuinely novel molecules by more than 450x.76% similarUnverifiedUnder matched corpus size and compute, randomized SAFE's true yield is 2.8x that of randomized SMILES.67% similarUnverifiedThe two levels of stochasticity in doubly stochastic optimization are mini-batch random sampling over the data and Monte Carlo estimation of the variational expectation.64% similarUnverified在8个模型均随机猜测的假设下，单次二元预测中至少有一个押中的概率约99.6%63% similarUnverifiedRepeated sample splitting reduces dependence on a single split by averaging the results of multiple random partitions, but averaging multiple intervals makes the overall result more conservative, and the intervals of several estimators become wider.61% similar
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