Concepedia

Recent advances in the self-referencing embedded strings (SELFIES) library

Alston Lo, Robert Pollice, AkshatKumar Nigam, Andrew Dickson White, Mario Krenn, Alán Aspuru‐Guzik

Digital Discovery · 2023 · 23 citations · 15 references

DOIFull text

Open access

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Abstract

We describe the current state of the SELFIES library (version 2.1.1), and, in particular, the advances and improvements we have made in its underlying algorithms, design, and API.

References

15

Proceedings of the 24th international conference on Machine learning

2007 · 11.7K citations

, , +6

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

David Weininger · Journal of Chemical Information and Computer Sciences · 1988 · 7.6K citations

, , +5

Introduction to automata theory, languages, and computation

Computer Languages · 1980 · 6.9K citations

, , +10

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

ACS Central Science · 2018 · 3K citations · Full text

, , +16

Molecular de-novo design through deep reinforcement learning

Marcus Olivecrona, Thomas Blaschke, Ola Engkvist et al. · Journal of Cheminformatics · 2017 · 1.4K citations · Full text

, , +14