Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus
出版年份 2014 全文链接
标题
Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus
作者
关键词
-
出版物
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 111, Issue 11, Pages 4067-4072
出版商
Proceedings of the National Academy of Sciences
发表日期
2014-03-04
DOI
10.1073/pnas.1320001111
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Steering Target Selectivity and Potency by Fragment-Based De Novo Drug Design
- (2013) Tiago Rodrigues et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for ‘Orphan’ Molecules
- (2013) Michael Reutlinger et al. Molecular Informatics
- De novo design and optimization of Aurora A kinase inhibitors
- (2013) Tiago Rodrigues et al. Chemical Science
- Identification of Pim Kinases as Novel Targets for PJ34 with Confounding Effects in PARP Biology
- (2012) Albert A. Antolín et al. ACS Chemical Biology
- Drugs by Numbers: Reaction-Driven De Novo Design of Potent and Selective Anticancer Leads
- (2012) Birgit Spänkuch et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Established and Emerging Trends in Computational Drug Discovery in the Structural Genomics Era
- (2012) Olivier Taboureau et al. CHEMISTRY & BIOLOGY
- Morphobase, an Encyclopedic Cell Morphology Database, and Its Use for Drug Target Identification
- (2012) Yushi Futamura et al. CHEMISTRY & BIOLOGY
- Automated design of ligands to polypharmacological profiles
- (2012) Jérémy Besnard et al. NATURE
- The RCSB Protein Data Bank: new resources for research and education
- (2012) Peter W. Rose et al. NUCLEIC ACIDS RESEARCH
- Assessing Drug Target Association Using Semantic Linked Data
- (2012) Bin Chen et al. PLoS Computational Biology
- DOGS: Reaction-Driven de novo Design of Bioactive Compounds
- (2012) Markus Hartenfeller et al. PLoS Computational Biology
- Drug discovery in the next decade: innovation needed ASAP
- (2011) Youssef L. Bennani DRUG DISCOVERY TODAY
- A Collection of Robust Organic Synthesis Reactions forIn SilicoMolecule Design
- (2011) Markus Hartenfeller et al. Journal of Chemical Information and Modeling
- Self-organizing molecular fingerprints: a ligand-based view on drug-like chemical space and off-target prediction
- (2010) Gisbert Schneider et al. Future Medicinal Chemistry
- Best Practices for QSAR Model Development, Validation, and Exploitation
- (2010) Alexander Tropsha Molecular Informatics
- Predicting drug side-effects by chemical systems biology
- (2009) Nicholas P Tatonetti et al. GENOME BIOLOGY
- Self-Organizing Maps in Drug Discovery: Compound Library Design, Scaffold-Hopping, Repurposing
- (2008) P. Schneider et al. CURRENT MEDICINAL CHEMISTRY
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search