Advancements in AI Technology for Lead Compound Discovery and Optimization Source The Journal of Pharmaceutical Sciences 2024, 59(9): 2443−2453 Authors Li Ziyue, Cong Kaiyuan, Wu Shiqi, Zhu Qihua, Xu Yungen, Zou Yi School of Pharmacy, China Pharmaceutical University Abstract In recent years, the development of artificial intelligence (AI) technology has made significant progress and has … Read more
“ Click the blue text to follow us Li Guobo Professor at West China School of Pharmacy, Sichuan University, PhD supervisor, and research group leader. Mainly engaged in drug design and medicinal chemistry, focusing on the design and discovery of drugs targeting metal enzymes. He has led several research projects, including the National Excellent Youth … Read more
Selected from StatsBot Author: Anton Karazeev Translated by Machine Heart Contributors: Qianshu, Huang Xiaotian This article is reproduced with permission from “Machine Heart” Reproduction prohibited Generative Adversarial Networks (GANs) are a class of neural networks used in unsupervised learning, which help to solve tasks such as generating images from text, improving image resolution, drug matching, … Read more
On March 26, 2024, Professor Huang Jiajun’s team from City University of Hong Kong, in collaboration with Tencent AI Lab and Shanghai Ruige Pharmaceutical, published an article in Nature Communications titled “A Dual Diffusion Model Enables 3D Molecule Generation and Lead Optimization Based on Target Pockets.” The authors proposed a Pocket-based Molecular Diffusion Model (PMDM) … Read more
Professors Cao Dongsheng from Central South University and Hou Tingjun from Zhejiang University, along with Carbon Silicon Wisdom, National University of Defense Technology, Hong Kong Baptist University, Hunan University, and Tianjin Supercomputing Center, published a research paper titled “OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds” in the authoritative … Read more