Organic Chemistry:
By Alex J. Roche. 1982
Subfields: Computational Chemistry & Drug Discovery
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In Computational Chemistry & Drug Discovery
- K. Müller
- Michael Gastegger
- Kristof T. Schütt
- Alexandre Tkatchenko
- Tommi S. Jaakkola
- Regina Barzilay
- G. Gorrasi
- S. Sibler
Citations in the corpus
- Junction Tree Variational Autoencoder for Molecular Graph Generation (2018, background): “Two simple rings are merged together if they have more than two overlapping atoms, as they constitute a specific structure called bridged compounds (Clayden et al., 2001).”
- Antifouling technology—past, present and future steps towards efficient and environmentally friendly antifouling coatings (2004, background): “to [83], “hydrolysis” signifies reactions catalysed by the presence of H+ ions, which replace a group/atom initially bonded to the carboxylic group.”
- Machine learning of chemical reactivity from databases of organic reactions (2009, methodology): “The best RF model was further validated with a set of 25 compounds extracted from the literature [37] with simple skeletons and encompassing different functional groups, to probe the ability to predict the chemoselectivity of NaCNBH3 (Table 4).”
- DNA-functionalized single-walled carbon nanotubes (2002, unknown): “The carboxylic acid groups can be reacted with primary amine compounds by any of several condensation reactions [6].”
- Calcium carbonate precipitation by cyanobacterial polysaccharides (2010, background): “2, which was likely attributed by the sulphydryl groups, was identified (Hornback 1998).”
- All SMILES Variational Autoencoder (2019, background): “Changes to the shape or charge distribution in one part of the molecule affect the position and orientation at which it fits best with the receptor, inducing shifts and rotations that alter the binding of other parts of the molecule, and changing the binding affinity [8].”
- Quantum-chemical insights from interpretable atomistic neural networks (2018, background): “This phenomenon is also referred to as the mesomeric effect in organic chemistry [52].”
- Improvement in surface degradation properties of polymer composites due to pre-processed nanometric alumina fillers (2008, background): “The C-O-C bond angles at the ends and the electron pairs on the oxygen together form a dipole as illustrated in Figure 10 [13].”
- Bioethanol from Cellulosic Materials: A Renewable Motor Fuel from Biomass (2005, methodology): “There are three principal methods to get the simple alcohols that are the backbone of aliphatic organic synthesis (Morrison and Boyd, 1983).”
- Hydrolysis and Biodegradation of Poly(lactic acid) (2017, background): “Generally, for polyester degradation, it was reported that the reaction occurs by hydrolytic degradation of the ester groups followed by different paths: acid-catalyzed, base-catalyzed and noncatalyzed [54-56].”
- Systematic review of the chemical composition of contemporary dental adhesives. (2007, background): “The polarity of solvents is determined by both the dipole moment and the dielectric constant [145].”