Search Result "MACCS key"
Classification of Active and Weakly Active ST Inhibitors of HIV-1 Integrase Using a Support Vector Machine
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 1 Year: 2012 Page: 792-805
Author(s): Aixia Yan, Shouyi Xuan, Xiaoying Hu
Predicting Protein-Ligand Interactions Based on Chemical Preference Features with its Application to New D-Amino Acid Oxidase Inhibitor Discovery
Journal: Current Pharmaceutical Design
Volume: 20 Issue: 32 Year: 2014 Page: 5202-5211
Author(s): Mingzhu Zhao,Hao-Teng Chang,Qiang Zhou,Tao Zeng,Chung-Shiuan Shih,Zhi-Ping Liu,Luonan Chen,Dong-Qing Wei
Classification of Aurora B Kinase Inhibitors Using Computational Models
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 2 Year: 2014 Page: 114-123
Author(s): Ruizi Liu,Xianglei Nie,Min Zhong,Xiaoli Hou,Shouyi Xuan,Aixia Yan
Survey of Machine Learning Techniques for Prediction of the Isoform Specificity of Cytochrome P450 Substrates
Journal: Current Drug Metabolism
Volume: 20 Issue: 3 Year: 2019 Page: 229-235
Author(s): Yi Xiong,Yanhua Qiao,Daisuke Kihara,Hui-Yuan Zhang,Xiaolei Zhu,Dong-Qing Wei
A Two-step Similarity-based Method for Prediction of Drugâs Target Group
Journal: Protein & Peptide Letters
Volume: 20 Issue: 3 Year: 2013 Page: 364-370
Author(s): Lei Chen,Wei-Ming Zeng
Discovery of New Potential Antimalarial Compounds Using Virtual Screening of ZINC Database
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 2 Year: 2015 Page: 227-234
Author(s): Jahan B. Ghasemi,Fereshteh Shiri,Somayeh Pirhadi,Zahra Heidari
Towards the Chemoinformatic-Based Identification of DNA Methyltransferase Inhibitors: 2D- and 3D-Similarity Profile of Screening Libraries
Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 4 Year: 2012 Page: 317-329
Author(s): Jakyung Yoo,Jose Luis Medina-Franco
Reverse Fingerprinting and Mutual Information-Based Activity Labeling and Scoring (MIBALS)
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 4 Year: 2009 Page: 424-439
Author(s): Chris Williams, Suzanne K. Schreyer
Computational Approaches Towards the Rational Design of Drug-like Compound Libraries
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 4 Issue: 6 Year: 2001 Page: 453-475
Author(s): Hans Matter, Karl-Heinz Barighaus, Thorsten Naumann, Thomas Klabunde, Bernard Pirard
Tuning hERG Out: Antitarget QSAR Models for Drug Development
Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 11 Year: 2014 Page: 1399-1415
Author(s): Rodolpho C. Braga,Vinicius M. Alves,Meryck F.B. Silva,Eugene Muratov,Denis Fourches,Alexander Tropsha,Carolina H. Andrade