AnoChem: Prediction of chemical structural abnormalities based on machine learning models

Author:

Gu Changdai,Jang Woo Dae,Oh Kwang-Seok,Ryu Jae Yong

Funder

Korea Research Institute of Chemical Technology

National Research Foundation of Korea

Ministry of Science, ICT and Future Planning

Publisher

Elsevier BV

Reference25 articles.

1. Why 90% of clinical drug development fails and how to improve it?;Sun;Acta Pharm Sin B,2022

2. Machine learning in drug discovery: a review;Dara;Artif Intell Rev,2022

3. Automatic chemical design using a data-driven continuous representation of molecules;Gómez-Bombarelli;ACS Cent Sci,2018

4. Junction tree variational autoencoder for molecular graph generation;Jin;Int Conf Mach Learn PMLR,2018

5. Entangled conditional adversarial autoencoder for de Novo drug discovery;Polykovskiy;Mol Pharm,2018

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