机构

• 上海药物研究所 [31]
• 生态环境研究中心 [2]
• 化学研究所 [1]
• 古脊椎动物与古人类研... [1]

采集方式

• OAI收割 [35]

内容类型

• 期刊论文 [35]

发表日期

• 2024 [3]
• 2023 [6]
• 2022 [8]
• 2021 [6]
• 2020 [6]
• 2019 [2]
• 更多

学科主题

筛选

浏览/检索结果: 共35条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Targeting JMJD1C to selectively disrupt tumor Treg cell fitness enhances antitumor immunity 期刊论文  OAI收割 NATURE IMMUNOLOGY, 2024, 页码: 32 作者:  Long, Xuehui;  Zhang, Sulin;  Wang, Yuliang;  Chen, Jingjing;  Lu, Yanlai   |  收藏  |  浏览/下载：20/0  |  提交时间：2024/03/25 The emergence of machine learning force fields in drug design 期刊论文  OAI收割 MEDICINAL RESEARCH REVIEWS, 2024, 页码: 36 作者:  Chen, Mingan;  Jiang, Xinyu;  Zhang, Lehan;  Chen, Xiaoxu;  Wen, Yiming   |  收藏  |  浏览/下载：15/0  |  提交时间：2024/02/19 computational chemistry  drug design  force field  machine learning  molecular modeling   KinomeMETA: meta-learning enhanced kinome-wide polypharmacology profiling 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2024, 卷号: 25, 期号: 1, 页码: 15 作者:  Ren, Qun;  Qu, Ning;  Sun, Jingjing;  Zhou, Jingyi;  Liu, Jin   |  收藏  |  浏览/下载：1/0  |  提交时间：2024/05/07 kinome profiling  kinase inhibitors  polypharmacology  deep learning  meta-learning   Computing the relative binding affinity of ligands based on a pairwise binding comparison network 期刊论文  OAI收割 Nature computational science, 2023, 卷号: 3, 期号: 10, 页码: 860-872 作者:  Yu, Jie;  Li, Zhaojun;  Chen, Geng;  Kong, Xiangtai;  Hu, Jie   |  收藏  |  浏览/下载：10/0  |  提交时间：2024/03/26 LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP 期刊论文  OAI收割 JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 13 作者:  Wang, Yitian;  Xiong, Jiacheng;  Xiao, Fu;  Zhang, Wei;  Cheng, Kaiyang   |  收藏  |  浏览/下载：15/0  |  提交时间：2023/10/17 logD7.4  Lipid solubility  Graph neural network  Molecular property prediction   The first galeaspid fish (stem-gnathostomata) from the Silurian Xiushan formation of Hunan Province, China 期刊论文  OAI收割 Historical Biology, 2023, 期号: 2023, 页码: 1-12 作者:  Zhang, Yumeng;  Li, Xutong;  Shan, Xianren;  Lin, Xianghong;  Tan, Kai   |  收藏  |  浏览/下载：14/0  |  提交时间：2023/07/01 Galeaspids  Silurian  Xiushan Fauna  Dayongaspidae   Tora3D: an autoregressive torsion angle prediction model for molecular 3D conformation generation 期刊论文  OAI收割 JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 14 作者:  Zhang, Zimei;  Wang, Gang;  Li, Rui;  Ni, Lin;  Zhang, RunZe   |  收藏  |  浏览/下载：25/0  |  提交时间：2023/10/17 Conformations generation  Autoregressive  Transformer  Deep learning  Small molecules   MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules 期刊论文  OAI收割 JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 42 作者:  Liu, Xiaohong;  Zhang, Wei;  Tong, Xiaochu;  Zhong, Feisheng;  Li, Zhaojun   |  收藏  |  浏览/下载：5/0  |  提交时间：2024/03/27 De novo molecule design  Generative models  Deep learning  Virtual screening  Compound quality control   Structural Optimization of Fibroblast Growth Factor Receptor Inhibitors for Treating Solid Tumors 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 66, 期号: 5, 页码: 3226-3249 作者:  Li, Chunpu;  Dai, Yang;  Kong, Xiangtai;  Wang, Bao;  Peng, Xia   |  收藏  |  浏览/下载：2/0  |  提交时间：2024/03/27 Prediction of serious eye damage or eye irritation potential of compounds via consensus labelling models and active learning models based on uncertainty strategies 期刊论文  OAI收割 Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 2022, 卷号: 169, 页码: 113420 作者:  Di, Peiwen;  Zheng, Mingyue;  Yang, Tianbiao;  Chen, Geng;  Ren, Jianan   |  收藏  |  浏览/下载：1/0  |  提交时间：2024/03/15 Active learning  Consensus labelling  Eye irritation  Serious eye damage  Structural alerts