Exploring chemical space — Generative models and their evaluation

Recent advances in the field of artificial intelligence, specifically regarding deep learning methods, have invigorated research into novel ways for the exploration of chemical space. Compared to more traditional methods that rely on chemical fragments and combinatorial recombination deep generative...

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Bibliographic Details
Published in:	Artificial Intelligence in the Life Sciences
Main Author:	Martin Vogt
Format:	Article
Language:	English
Published:	Elsevier 2023-12-01
Subjects:	Artificial intelligence Chemical space Chemical space exploration Deep neural networks Generative models Inverse QSAR/QSPR
Online Access:	http://www.sciencedirect.com/science/article/pii/S2667318523000089

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