Studies on the synthesis of a G-rich octaoligoisonucleotide (isoT)2(isoG)4(isoT)2 by the phosphotriester approach and its formation of G-quartet structure. - Jun Chen; Liang Ren Zhang; Ji Mei Min; Li He Zhang (Nucleic Acids Res., 2002)

Multiple-Docking and Affinity Fingerprint Methods for Protein Classification and Inhibitors Selection. - Bo Li 022; Zhenming Liu; Liang Ren Zhang; Li He Zhang (J. Chem. Inf. Model., 2009)

Identification of Small-Molecule Inhibitors against Human Leukocyte Antigen-Death Receptor 4 (HLA-DR4) Through a Comprehensive Strategy. - Zhenming Liu; Bo Li 022; Xia Li; Liang Ren Zhang; Luhua Lai (J. Chem. Inf. Model., 2011)

Correction to Identification of Small-Molecule Inhibitors against Human Leukocyte Antigen-Death Receptor 4 (HLA-DR4) Through a Comprehensive Strategy. - Zhenming Liu; Bo Li 022; Xia Li; Liang Ren Zhang; Luhua Lai (J. Chem. Inf. Model., 2011)

An Unbiased Method To Build Benchmarking Sets for Ligand-Based Virtual Screening and its Application To GPCRs. - Jie Xia; Hongwei Jin; Zhenming Liu; Liang Ren Zhang; Xiang Simon Wang (J. Chem. Inf. Model., 2014)

Comparative Modeling and Benchmarking Data Sets for Human Histone Deacetylases and Sirtuin Families. - Jie Xia; Ermias Lemma Tilahun; Eyob Hailu Kebede; Terry-Elinor Reid; Liang Ren Zhang; Xiang Simon Wang (J. Chem. Inf. Model., 2015)

Multi-objective de novo drug design with conditional graph generative model. - Yibo Li; Liangren Zhang; Zhenming Liu (J. Cheminformatics, 2018)

Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis. - Jie Xia; Terry-Elinor Reid; Song Wu; Liangren Zhang; Xiang Simon Wang (J. Chem. Inf. Model., 2018)

DeepScaffold: A Comprehensive Tool for Scaffold-Based De Novo Drug Discovery Using Deep Learning. - Yibo Li; Jianxing Hu; Yanxing Wang; Jielong Zhou; Liangren Zhang; Zhenming Liu (J. Chem. Inf. Model., 2020)

TF3P: Three-Dimensional Force Fields Fingerprint Learned by Deep Capsular Network. - Yanxing Wang; Jianxing Hu; Junyong Lai; Yibo Li; Hongwei Jin; Li He Zhang; Liang Ren Zhang; Zhenming Liu (J. Chem. Inf. Model., 2020)

Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists. - Jie Xia; Zhenyi Wang; Yi Huan; Wenjie Xue; Xing Wang; Yuxi Wang; Zhenming Liu; Jui-Hua Hsieh; Liangren Zhang; Song Wu; Zhufang Shen; Hongmin Zhang; et al. (J. Chem. Inf. Model., 2020)

Chemical Space, Scaffolds, and Halogenated Compounds of CMNPD: A Comprehensive Chemoinformatic Analysis. - Ningfeng Liu; Junyong Lai; Chuanyu Lyu; Bo Qiang; Heyu Wang; Hongwei Jin; Liangren Zhang; Zhenming Liu (J. Chem. Inf. Model., 2021)

CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean. - Chuanyu Lyu; Tong Chen; Bo Qiang; Ningfeng Liu; Heyu Wang; Liangren Zhang; Zhenming Liu (Nucleic Acids Res., 2021)

Uni-RXN: A Unified Framework Bridging the Gap between Chemical Reaction Pretraining and Conditional Molecule Generation. - Bo Qiang; Yiran Zhou; Yuheng Ding; Ningfeng Liu; Song Song; Liangren Zhang; Bo Huang; Zhenming Liu (CoRR, 2023)

Bridging the gap between chemical reaction pretraining and conditional molecule generation with a unified model. - Bo Qiang; Yiran Zhou; Yuheng Ding; Ningfeng Liu; Song Song; Liangren Zhang; Bo Huang; Zhenming Liu (Nat. Mac. Intell., 2023)

Deep reinforcement learning enables better bias control in benchmark for virtual screening. - Tao Shen; Shan Li; Xiang Simon Wang; Dongmei Wang; Song Wu; Jie Xia; Liangren Zhang (Comput. Biol. Medicine, 2024)

Latent Chemical Space Searching for Plug-in Multi-objective Molecule Generation. - Ningfeng Liu; Jie Yu; Siyu Xiu; Xinfang Zhao; Siyu Lin; Bo Qiang; Ruqiu Zheng; Hongwei Jin; Liangren Zhang; Zhenming Liu (CoRR, 2024)

Exploring Chemical Reaction Space with Machine Learning Models: Representation and Feature Perspective. - Yuheng Ding; Bo Qiang; Qixuan Chen; Yiqiao Liu; Liangren Zhang; Zhenming Liu (J. Chem. Inf. Model., 2024)