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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text