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Journal of Chemical Information and Modeling, ISSN 1549-9596, 09/2018, Volume 58, Issue 9, p. 1847
Assay interference is an acknowledged problem in high-throughput screening, and pan-assay interference compounds (PAINS) filters are one of a number of... 
Substructures | Matching | Computational chemistry | Artifacts | Extrapolation | Screening | Interference | Ligands | Chemical filters | Coordination compounds | Assaying | Chemical compounds
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 09/2018, Volume 58, Issue 9, pp. 1847 - 1857
Journal Article
Nucleic Acids Research, ISSN 0305-1048, 01/2018, Volume 46, Issue D1, pp. D1261 - D1265
Abstract Metabolic capabilities of microorganisms include the production of secondary metabolites (e.g. antibiotics). The analysis of microbial volatile... 
DIVERSITY | SIGNATURE VOLATILES | BACTERIAL VOLATILES | PLANT-GROWTH | BIOCHEMISTRY & MOLECULAR BIOLOGY | User-Computer Interface | Microbiota | Bacteria - chemistry | Databases, Chemical | Mass Spectrometry | Data Collection | Fungi - chemistry | Internet | Volatile Organic Compounds - chemistry | Database Issue
Journal Article
Journal Article
Nucleic Acids Research, ISSN 0305-1048, 07/2014, Volume 42, Issue 1, pp. W26 - W31
The SuperPred web server connects chemical similarity of drug-like compounds with molecular targets and the therapeutic approach based on the similar property... 
NETWORK | DATABASE | PHARMACOLOGY | BIOCHEMISTRY & MOLECULAR BIOLOGY | DISCOVERY | MOLECULES | Proteins - metabolism | Pharmaceutical Preparations - chemistry | Pharmaceutical Preparations - classification | Proteins - drug effects | Ligands | Software | Internet | Drug Discovery
Journal Article
Science, ISSN 0036-8075, 12/2017, Volume 358, Issue 6367, p. eaan4368
Kinase inhibitors are important cancer therapeutics. Polypharmacology is commonly observed, requiring thorough target deconvolution to understand drug... 
REFINEMENT | PROTEIN | CHEMICAL PROTEOMICS | INHIBITOR SELECTIVITY | DATA QUALITY | QUANTIFICATION | MULTIDISCIPLINARY SCIENCES | INTEGRATIVE GENOMICS VIEWER | SALT-INDUCIBLE KINASES | CANCER | COMPREHENSIVE ANALYSIS | fms-Like Tyrosine Kinase 3 - antagonists & inhibitors | Lung Neoplasms - drug therapy | Lung Neoplasms - enzymology | Cytokines - metabolism | Humans | Drug Discovery - methods | Antineoplastic Agents - chemistry | Molecular Targeted Therapy | Xenograft Model Antitumor Assays | Leukemia, Myeloid, Acute - enzymology | Protein Kinase Inhibitors - chemistry | Animals | Protein-Serine-Threonine Kinases - antagonists & inhibitors | Cell Line, Tumor | Leukemia, Myeloid, Acute - drug therapy | Antineoplastic Agents - pharmacology | Mice | Protein Kinase Inhibitors - pharmacology | Proteomics - methods | Salts | Target recognition | Lung cancer | Selectivity | Drug development | Cancer therapies | Signal transduction | Biomolecules | Protein-tyrosine kinase | Tyrosine | Medical research | Imatinib | Decision making | Medical treatment | Mass spectroscopy | Tumor necrosis factor-α | Embryos | Bruton's tyrosine kinase | Mode of action | Side effects | Inhibitors | Interleukin 10 | Affinity | Drug discovery | Mass spectrometry | Acute myeloid leukemia | Drugs | Deregulation | Leukemia | Interleukin | Medical services | Clinical trials | Leucine | Kinases | Biological effects | Epidermal growth factor | Salt-inducible kinase | Xenografts | Cell survival | Epidermal growth factor receptors | Research & development--R&D | Therapeutic applications | Myeloid leukemia | Markers | Data processing | Lead compounds | Leucine zipper proteins | Signaling | Proteomics | Cancer
Journal Article
Nucleic Acids Research, ISSN 0305-1048, 2016, Volume 44, Issue 1, pp. D932 - D937
Journal Article
BMC Bioinformatics, ISSN 1471-2105, 09/2015, Volume 16, Issue 1, p. 308
Journal Article
PloS one, 2015, Volume 10, Issue 5, p. e0124878
Immune mediated adverse drug reactions (IM-ADRs) remain a significant source of patient morbidity that have more recently been shown to be associated with... 
HLA-B Antigens - metabolism | Drug Hypersensitivity - immunology | Antiviral Agents - immunology | Humans | Cells, Cultured | Protein Binding | Acyclovir - immunology | Antiviral Agents - metabolism | Acyclovir - metabolism
Journal Article
PLoS ONE, 05/2015, Volume 10, Issue 5
Immune mediated adverse drug reactions (IM-ADRs) remain a significant source of patient morbidity that have more recently been shown to be associated with... 
Journal Article
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