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Science, ISSN 0036-8075, 01/2019, Volume 363, Issue 6423, pp. 122 - 123
There is something particularly satisfying in watching an automaton as it impeccably performs its task, be it an Archimedean screw pump or a machine for making... 
MULTIDISCIPLINARY SCIENCES | F-18-FLUORINATION | FLUORINATION | Fume cupboards | Organic chemistry | Automation | Cutters | Sildenafil | Diphenhydramine | Chemical synthesis
Journal Article
Israel Journal of Chemistry, ISSN 0021-2148, 02/2018, Volume 58, Issue 1-2, pp. 131 - 135
Recent progress in the automation of chemical synthesis is part of a broad ongoing trend that is based on incorporating machine learning algorithms to improve... 
Singularity | Catalysis | Machine Learning | Artificial Intelligence | Organic Synthesis | DESIGN | F-18-FLUORINATION | FLUORINATION | CHEMISTRY, MULTIDISCIPLINARY | DISCOVERY | MOLECULES | REACTION PREDICTION | CHIRAL ANION | CHEMISTRY | MACHINE | Chemical synthesis | Machine learning | Strychnine | Automation | Chemists
Journal Article
Nature Chemistry, ISSN 1755-4330, 06/2016, Volume 8, Issue 6, pp. 610 - 617
The mechanistic foundation behind the identity of a phosphine ligand that best promotes a desired reaction outcome is often non-intuitive, and thus has been... 
Phosphine | Correlation analysis | Ligands | Chemical reactions | Selectivity | Parameterization | Reaction mechanisms
Journal Article
Chemical Communications, ISSN 1359-7345, 9/2018, Volume 54, Issue 72, pp. 114 - 12
When we first heard of the Bürgenstock conference it was described as a guarded meeting in a remote location, undisturbed by modern diversions, with mysterious... 
ROOM-TEMPERATURE | METHANE | CAGE | HYDROCARBONS | CHEMISTRY | CHEMICAL-SYNTHESIS | CARBOXYLATION | RADICALS | CHEMISTRY, MULTIDISCIPLINARY | ATOM | INSIGHTS | Organic chemistry | Moderators | Stereochemistry
Journal Article
Science, ISSN 0036-8075, 02/2015, Volume 347, Issue 6223, pp. 737 - 743
Knowledge of chemical reaction mechanisms can facilitate catalyst optimization, but extracting that knowledge from a complex system is often challenging. Here,... 
DESIGN | STERIC PARAMETERS | BENZENE | HYDROGENATION | ACIDS | DIMER | HIGH-THROUGHPUT DISCOVERY | MULTIDISCIPLINARY SCIENCES | CHEMISTRY | PI-PI INTERACTIONS | Chemical reaction, Rate of | Chirality | Models | Catalysis | Chemical properties | Nitrogen | Carbon | Catalysts | Chemical reactions | Mathematical models | Derivatives | Design analysis | Complex systems | Substrates | Optimization
Journal Article
NATURE CHEMISTRY, ISSN 1755-4330, 06/2019, Volume 11, Issue 6, pp. 543 - 551
Secondary-sphere interactions serve a fundamental role in controlling the reactivity and selectivity of organometallic and enzymatic catalysts. However, there... 
CATALYSIS | INTERPLAY | DESIGN | ACIDITIES | COORDINATION SPHERE | ACIDS | CHEMISTRY | REACTIVITY | SYSTEMS | DYNAMIC-COVALENT | CHEMISTRY, MULTIDISCIPLINARY | Catalysts | Selectivity | Enantiomers | Carbenes | Substrates | Optimization | Learning algorithms | Algorithms | Machine learning | Catalysis | Decision trees | Benzoin | Scientific visualization
Journal Article
Accounts of Chemical Research, ISSN 0001-4842, 06/2016, Volume 49, Issue 6, pp. 1292 - 1301
In most modern organic chemistry reports, including many of ours, reaction optimization schemes are typically presented to showcase how reaction conditions... 
DIRECTING GROUP | CHIRAL ANION | STERIC PARAMETERS | ALLYLIC ALCOHOLS | HIGH-THROUGHPUT DISCOVERY | FREE-ENERGY RELATIONSHIPS | ENANTIOSELECTIVE REACTION | HECK ARYLATIONS | TRANSFER HYDROGENATION | SITE-SELECTIVITY | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 10/2016, Volume 138, Issue 40, pp. 13424 - 13430
The effects of aryl ring ortho-, meta-, and para-substitution on site selectivity and enantioselectivity were investigated in the following reactions: (1)... 
ORTHO-SUBSTITUTED BENZOATES | ALKENYL ALCOHOLS | REACTION-RATES | CHIRAL ANION | ALKALINE-HYDROLYSIS | FREE-ENERGY RELATIONSHIPS | HECK ARYLATIONS | C-C | BOND ORBITAL ANALYSIS | CHEMISTRY, MULTIDISCIPLINARY | BENZOIC-ACIDS | Infrared spectroscopy | Carbonyl compounds | Usage | Steric effects | Chemical properties
Journal Article
Molecular Systems Biology, ISSN 1744-4292, 2013, Volume 9, Issue 1, pp. 701 - n/a
Journal Article
Chemical Communications, ISSN 1359-7345, 01/2011, Volume 47, Issue 9, pp. 2535 - 2537
An insoluble, porous, amorphous, homochiral material based on a polypeptide titanium-phosphonate scaffold with an encapsulated achiral MnIII-salen was prepared... 
Encapsulation | Hydration | Styrenes | Epoxidation | Amorphous materials | Derivatives | Diols | Manganese
Journal Article
Synthesis, ISSN 0039-7881, 07/2019, Volume 51, Issue 14, pp. 2845 - 2864
Abstract A library of functionalized chiral pyrrolidine-based N-heterocyclic carbene triazolium salts containing a hydroxy handle is prepared from readily... 
paper | arylhydrazines | benzyl alcohol | BENZOIN REACTIONS | triazolium salts | CHEMISTRY, ORGANIC | NONCOVALENT INTERACTIONS | organocatalysis | protecting groups | desilylation | organomagnesium reagents | PI INTERACTIONS | PRECURSORS | CATALYSTS | N-heterocyclic carbenes
Journal Article
Chemical Communications, ISSN 1359-7345, 03/2011, Volume 47, Issue 9, pp. 2535 - 2537
An insoluble, porous, amorphous, homochiral material based on a polypeptide titanium-phosphonate scaffold with an encapsulated achiral Mn-III-salen was... 
LIVING POLYMERIZATION | DESIGN | CHEMISTRY, MULTIDISCIPLINARY | STRATEGIES | Styrene - chemistry | Adsorption | Peptides - chemistry | Ethylenediamines - chemistry | Stereoisomerism | Organophosphonates - chemistry | Titanium - chemistry | Capsules - chemistry | Sulfhydryl Compounds - chemistry | Catalysis | Manganese - chemistry
Journal Article
Nature chemistry, ISSN 1755-4330, 04/2019, Volume 11, Issue 4, pp. 286 - 294
To mark the occasion of Nature Chemistry turning 10 years old, we asked scientists working in different areas of chemistry to tell us what they thought the... 
CHEMISTRY, MULTIDISCIPLINARY | Organic chemistry | Chemical Sciences | Naturvetenskap | Natural Sciences | Kemi
Journal Article
Information Systems, ISSN 0306-4379, 2008, Volume 33, Issue 6, pp. 477 - 507
We present in this paper BP-QL, a novel query language for querying business processes. The BP-QL language is based on an intuitive model of business... 
BPEL | Query language | Business processes | Distributed query processing | XML | LANGUAGE | WEB SERVICES | distributed query processing | business processes | COMPUTER SCIENCE, INFORMATION SYSTEMS | query languages
Journal Article