An Effective Pipeline for Training Variational Autoencoders for Synthesizable and Optimized Molecular Design by Fardeen H. Mozumder, Byung-Jun Yoon

Subjects: “…Generative molecular design (GMD)…”
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Identifying the determining factors of detonation properties for linear nitroaliphatics with high-throughput computation and machine learning by Wen Qian, Jing Huang, Shi-tai Guo, Bo-wen Duan, Wei-yu Xie, Jian Liu, Chao-yang Zhang

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Direct conversion of peptides into diverse peptidomimetics using a transformer-based chemical language model by Atsushi Yoshimori, Jürgen Bajorath

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Quadratic descriptors and reduction methods in a two-layered model for compound inference by Jianshen Zhu, Naveed Ahmed Azam, Shengjuan Cao, Ryota Ido, Kazuya Haraguchi, Liang Zhao, Hiroshi Nagamochi, Tatsuya Akutsu

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Structural bioinformatics for rational drug design by Soroush Mozaffari, Agnethe Moen, Che Yee Ng, Gerry A.F. Nicolaes, Kanin Wichapong

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