Gaussian Process Regression-Based Near-Infrared d-Luciferin Analogue Design Using Mutation-Controlled Graph-Based Genetic Algorithm

Author:

Moon Sung Wook1ORCID,Min Seung Kyu1ORCID

Affiliation:

1. Departmet of Chemistry, School of Natural Science, Ulsan National Institute of Science and Technology (UNIST), 50 UNIST-gil, Ulju-gun, Ulsan 44919, South Korea

Funder

Samsung Science and Technology Foundation

National Research Foundation of Korea

Publisher

American Chemical Society (ACS)

Reference48 articles.

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2. De novo molecular design and generative models

3. Kingma, D. P.; Welling, M. Auto-encoding variational Bayes, 2014, https://arxiv.org/abs/1312.6114.

4. Goodfellow, I. J.; Pouget-Abadie, J.; Mirza, M.; Xu, B.; Warde-Farley, D.; Ozair, S.; Courville, A.; Bengio, Y. Generative Adversarial Networks 2014 https://arxiv.org/abs/1406.2661.

5. Mnih, V.; Kavukcuoglu, K.; Silver, D.; Graves, A.; Antonoglou, I.; Wierstra, D.; Riedmiller, M. Playing Atari with deep reinforcement learning, 2013, https://arxiv.org/abs/1312.5602.

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