663 citations · 1.5k across the 9 of their papers we have counts for
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cs.NE2019★ 96 cited
Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space
AkshatKumar Nigam, Pascal Friederich, Mario Krenn +1
Challenges in natural sciences can often be phrased as optimization problems. Machine learning techniques have recently been applied to solve such problems. One example in chemistr…
cs.LG2019★ 663 cited
Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation
Mario Krenn, Florian Häse, AkshatKumar Nigam +2
The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncove…