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2011, ISBN 1615209115, xvii, 400
"This book is a timely compendium of key elements that are crucial for the study of machine learning in chemoinformatics, giving an overview of current... 
Cheminformatics | Machine learning
Book
Methods in Molecular Biology, ISSN 1064-3745, 2018, Volume 1807, pp. 181 - 193
Most drugs produce their phenotypic effects by interacting with target proteins, and understanding the molecular features that underpin drug-target... 
Chemogenomics | Feature extraction | Protein domains | Sparse modeling | Drug–target interactions | Chemical substructures | Receptors, G-Protein-Coupled - metabolism | Algorithms | Drug Interactions
Journal Article
Methods in molecular biology (Clifton, N.J.), ISSN 1064-3745, 2018, Volume 1825, pp. 355 - 368
Identification of drug-target interactions is a crucial process in drug discovery. In this chapter, we present protocols for recent advancements in machine... 
Kernel methods | Sparse modeling | Drug–target interactions | Linear modeling | Classification | Machine learning | Chemogenomics
Journal Article
Bioinformatics, ISSN 1367-4803, 9/2009, Volume 25, Issue 18, pp. 2397 - 2403
Journal Article
Methods in Molecular Biology, ISSN 1064-3745, 2019, Volume 1888, pp. 189 - 203
Identification of the modes of action of bioactive compounds is an important issue in chemical systems biology. In this chapter we review a recently developed... 
Drug repositioning | Drug target | Bioactive compound | Pathway activity | Modes of action | Transcriptome | Computational Biology - methods | Models, Biological | Small Molecule Libraries | Humans | Biomarkers | Drug Discovery - methods | Gene Expression Profiling - methods | Transcriptome - drug effects | Gene Regulatory Networks - drug effects
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 01/2019, Volume 59, Issue 1, pp. 463 - 476
In Quantitative Structure-Activity Relationship (QSAR) modeling, one must come up with an activity model but also with an applicability domain for that model.... 
SPACE | DESCRIPTOR | CHEMISTRY, MEDICINAL | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | TRAINING SET | QSAR | COMPUTER SCIENCE, INFORMATION SYSTEMS | MODEL | SIMILARITY | MAP | CHEMISTRY, MULTIDISCIPLINARY | PREDICTION | Support vector machines | Screening | Algorithms | Boolean algebra | Classification
Journal Article
Nucleic Acids Research, ISSN 0305-1048, 1/2008, Volume 36, Issue suppl_1, pp. D480 - D484
KEGG (http://www.genome.jp/kegg/) is a database of biological systems that integrates genomic, chemical and systemic functional information. KEGG provides a... 
BIOCHEMISTRY & MOLECULAR BIOLOGY | PREDICTION | User-Computer Interface | Disease | Metabolic Networks and Pathways | Genomics | Humans | Pharmaceutical Preparations - chemistry | Systems Integration | Molecular Structure | Internet | Systems Biology | Databases, Factual
Journal Article
2011, ISBN 1615209115
"This book is a timely compendium of key elements that are crucial for the study of machine learning in chemoinformatics, giving an overview of current... 
Cheminformatics | Machine learning
Web Resource
Molecular Informatics, ISSN 1868-1743, 12/2013, Volume 32, Issue 11‐12, pp. 991 - 999
Drug effects are mainly caused by the interactions between drug molecules and target proteins including primary targets and off‐targets. Understanding of the... 
Chemogenomics | Feature extraction | Drug‐target interactions | Protein domains | Chemical substructures | Drug-target interactions | IN-VITRO | CHEMISTRY, MEDICINAL | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | MATHEMATICAL & COMPUTATIONAL BIOLOGY | DISCOVERY | PROTEIN-BINDING POCKET | PREDICTION | Proteins | Ligands
Journal Article
Journal of chemical information and modeling, 12/2018
In Quantitative Structure-Activity Relationship (QSAR) modeling, one must come up with an activity model but also with an applicability domain for that model.... 
Journal Article
Bioinformatics, ISSN 1367-4803, 06/2016, Volume 32, Issue 12, pp. i278 - i287
Journal Article
BMC systems biology, ISSN 1752-0509, 12/2013, Volume 7, Issue Suppl 6, pp. S3 - S3
Journal Article
Methods in Molecular Biology, ISSN 1064-3745, 2013, Volume 939, pp. 97 - 113
Conference Proceeding
Bioinformatics, ISSN 1367-4803, 06/2015, Volume 31, Issue 12, pp. i161 - i170
Journal Article
BMC SYSTEMS BIOLOGY, ISSN 1752-0509, 04/2019, Volume 13, Issue Suppl 2, pp. 39 - 39
Journal Article