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PLoS ONE, ISSN 1932-6203, 04/2012, Volume 7, Issue 4, p. e35429
A range of novel carboxamide fungicides, inhibitors of the succinate dehydrogenase enzyme (SDH, EC 1.3.5.1) is currently being introduced to the crop... 
USTILAGO-MAYDIS | UBIQUINONE-BINDING SITE | AGROBACTERIUM-TUMEFACIENS | BOSCALID RESISTANCE | CARBOXIN RESISTANCE | ELECTRON-TRANSFER | COMPLEX-II SUCCINATE | MULTIDISCIPLINARY SCIENCES | ESCHERICHIA-COLI | TRANSCRIPTIONAL ACTIVATOR VIRG | IRON-SULFUR SUBUNIT | Niacinamide - analogs & derivatives | Oxidative Stress | Molecular Sequence Data | Plant Diseases - microbiology | Ascomycota - drug effects | Fungal Proteins - antagonists & inhibitors | Norbornanes - pharmacology | Ascomycota - growth & development | Fungicides, Industrial - pharmacology | Biphenyl Compounds - pharmacology | Computer Simulation | Ascomycota - genetics | Conserved Sequence | Inhibitory Concentration 50 | Benzamides - pharmacology | Binding Sites | Triticum - microbiology | Pyrazoles - pharmacology | Amino Acid Sequence | Succinate Dehydrogenase - antagonists & inhibitors | Models, Molecular | Ascomycota - enzymology | Drug Resistance, Fungal - genetics | Fungal Proteins - genetics | Succinate Dehydrogenase - genetics | Mutagenesis | Protein Binding | Pyridines - pharmacology | Niacinamide - pharmacology | Carboxin - pharmacology | Drug resistance in microorganisms | Fungicides | Wheat | Analysis | Reactive oxygen species | Succinate dehydrogenase | Yeast | Dehydrogenases | Enzyme activity | Laboratories | Genes | Amino acids | Homology | Dehydrogenase | Proteins | Ubiquinone | E coli | Enzymatic activity | Docking | Physiology | Pharmaceutical sciences | Binding | Enzymes | Pathogens | Cell survival | Cloning | Pesticides | Pharmacology | Crop protection | Bacteriology | Chemistry | Inhibitors | Neural networks | In vivo methods and tests | Recombinants | Mutation | Binding sites | Fitness
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 08/2017, Volume 57, Issue 8, pp. 2068 - 2076
Journal Article
BMC Health Services Research, ISSN 1472-6963, 09/2014, Volume 14, Issue 1, p. 419
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 08/2017, Volume 57, Issue 8, p. 2068
Multitask deep learning has emerged as a powerful tool for computational drug discovery. However, despite a number of preliminary studies, multitask deep... 
Learning | Biotechnology | Networks | Freeware | Scripts | Analysis | Machine learning | Software | Source code | Programming languages | Pharmaceuticals
Journal Article
PLoS ONE, ISSN 1932-6203, 02/2014, Volume 9, Issue 2, p. e88908
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 03/2017, Volume 57, Issue 3, p. 445
  The development of new antimalarial therapies is essential, and lowering the barrier of entry for the screening and discovery of new lead compound classes... 
Malaria | Research & development--R&D | Blood tests | Drug therapy | Medical screening | Artificial intelligence | Bayesian analysis
Journal Article
Tetrahedron Letters, ISSN 0040-4039, 11/2011, Volume 52, Issue 48, pp. 6457 - 6459
The syntheses of four new spiropiperidines designed as polar analogs of methyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate are described. 
Ring closing metathesis | Log D | Spiropiperidine | Lipophilicity | LogD
Journal Article
Journal Article
Bioorganic & Medicinal Chemistry Letters, ISSN 0960-894X, 06/2017, Volume 27, Issue 11, pp. 2384 - 2388
Journal Article
Bioorganic & Medicinal Chemistry Letters, ISSN 0960-894X, 05/2019, Volume 29, Issue 10, pp. 1182 - 1186
Previously disclosed benzimidazole-based DGAT1 inhibitors containing a cyclohexane carboxylic acid moiety suffer from isomerization at the alpha position of... 
Inhibitor | DGAT1 | [3.1.0] bicyclohexane carboxylic acid | Benzimidazole | Isomerization | IBUPROFEN | POTENT | CHEMISTRY, MEDICINAL | CHEMISTRY, ORGANIC | CHIRAL INVERSION | DISCOVERY | Lead compounds | Metabolites | Cyclohexane
Journal Article