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。Automated reaction database and reaction network analysis: extraction of reaction templates using cheminformatics
Pieter P. Plehiers et al.
JOURNAL OF CHEMINFORMATICS (2018)
Planning chemical syntheses with deep neural networks and symbolic AI
Marwin H. S. Segler et al.
NATURE (2018)
Computer-Assisted Retrosynthesis Based on Molecular Similarity
Connor W. Coley et al.
ACS CENTRAL SCIENCE (2017)
Computer-Assisted Synthetic Planning: The End of the Beginning
Sara Szymkuc et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
A remote-controlled adaptive medchem lab: an innovative approach to enable drug discovery in the 21st Century
Alexander G. Godfrey et al.
DRUG DISCOVERY TODAY (2013)
Mining Electronic Laboratory Notebooks: Analysis, Retrosynthesis, and Reaction Based Enumeration
Clara D. Christ et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
ZINC: A Free Tool to Discover Chemistry for Biology
John J. Irwin et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Rules for Identifying Potentially Reactive or Promiscuous Compounds
Robert F. Bruns et al.
JOURNAL OF MEDICINAL CHEMISTRY (2012)
Route Designer: A Retrosynthetic Analysis Tool Utilizing Automated Retrosynthetic Rule Generation
James Law et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
DrugBank: a knowledgebase for drugs, drug actions and drug targets
David S. Wishart et al.
NUCLEIC ACIDS RESEARCH (2008)