Author:
Hu Xiuyuan,Liu Guoqing,Yao Quanming,Zhao Yang,Zhang Hao
Publisher
Springer Science and Business Media LLC
Reference51 articles.
1. Du Y, Fu T, Sun J, Liu S (2022) Molgensurvey: a systematic survey in machine learning models for molecule design. arXiv preprint arXiv:2203.14500
2. Zhao L, Ciallella HL, Aleksunes LM, Zhu H (2020) Advancing computer-aided drug discovery (cadd) by big data and data-driven machine learning modeling. Drug Discov Today 25(9):1624–1638
3. Bajorath J, Chávez-Hernández AL, Duran-Frigola M, Fernández-de Gortari E, Gasteiger J, López-López E, Maggiora GM, Medina-Franco JL, Méndez-Lucio O, Mestres J et al (2022) Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds. J Cheminform 14(1):82
4. Olivecrona M, Blaschke T, Engkvist O, Chen H (2017) Molecular de-novo design through deep reinforcement learning. J Cheminform 9
5. Jin W, Barzilay R, Jaakkola T (2018) Junction tree variational autoencoder for molecular graph generation. In: International Conference on Machine Learning, pp. 2323–2332. PMLR