[HTML][HTML] Automating drug discovery
G Schneider - Nature reviews drug discovery, 2018 - nature.com
Small-molecule drug discovery can be viewed as a challenging multidimensional problem in
which various characteristics of compounds—including efficacy, pharmacokinetics and …
which various characteristics of compounds—including efficacy, pharmacokinetics and …
High throughput reaction screening using desorption electrospray ionization mass spectrometry
We report the high throughput analysis of reaction mixture arrays using methods and data
handling routines that were originally developed for biological tissue imaging. Desorption …
handling routines that were originally developed for biological tissue imaging. Desorption …
“On‐droplet” chemistry: the cycloaddition of diethyl azodicarboxylate and quadricyclane
Sharpless and co‐workers previously studied the [2σ+ 2σ+ 2π] cycloaddition of diethyl
azodicarboxylate (DEAD) and quadricyclane and reported that the addition of water to the …
azodicarboxylate (DEAD) and quadricyclane and reported that the addition of water to the …
Rapid on-demand synthesis of lomustine under continuous flow conditions
Z Jaman, TJP Sobreira, A Mufti… - … Process Research & …, 2019 - ACS Publications
Lomustine, an important agent for treatment of brain tumors and Hodgkin's lymphoma, has
been synthesized using continuous flow methodology. Desorption electrospray ionization …
been synthesized using continuous flow methodology. Desorption electrospray ionization …
High throughput experimentation using DESI-MS to guide continuous-flow synthesis
BP Loren, HS Ewan, L Avramova, CR Ferreira… - Scientific reports, 2019 - nature.com
We demonstrate the use of accelerated reactions with desorption electrospray ionization
mass spectrometry (DESI-MS) as a tool for predicting the outcome of microfluidic reactions …
mass spectrometry (DESI-MS) as a tool for predicting the outcome of microfluidic reactions …
Screening of the Suzuki cross-coupling reaction using desorption electrospray ionization in high-throughput and in Leidenfrost droplet experiments
Suzuki cross-coupling is a widely performed reaction, typically using metal catalysts under
heated conditions. Acceleration of the Suzuki cross-coupling reaction has been previously …
heated conditions. Acceleration of the Suzuki cross-coupling reaction has been previously …
High-throughput experimentation and continuous flow evaluation of nucleophilic aromatic substitution reactions
Z Jaman, DL Logsdon, B Szilágyi… - ACS Combinatorial …, 2020 - ACS Publications
Nucleophilic aromatic substitution (SNAr) reactions were optimized using high-throughput
experimentation techniques for execution under flow conditions. A total of 3072 unique …
experimentation techniques for execution under flow conditions. A total of 3072 unique …
High Throughput Experimentation and Continuous Flow Validation of Suzuki–Miyaura Cross‐Coupling Reactions
Traditional methods to discover optimal reaction conditions for small molecule synthesis is a
time‐consuming effort that requires large quantities of material and a significant expenditure …
time‐consuming effort that requires large quantities of material and a significant expenditure …
Aldol reactions of biorenewable triacetic acid lactone precursor evaluated using desorption electrospray ionization mass spectrometry high-throughput …
HS Ewan, SA Biyani, J DiDomenico… - ACS Combinatorial …, 2020 - ACS Publications
Desorption electrospray ionization-mass spectrometry (DESI-MS) was used as a high-
throughput experimentation (HTE) tool to rapidly identify derivatives of the biobased platform …
throughput experimentation (HTE) tool to rapidly identify derivatives of the biobased platform …
Accelerated multi-reagent copper catalysed coupling reactions in micro droplets and thin films
Electrospray (ES) and paper spray (PS) mass spectrometry were used to create confined
liquid volumes in which accelerated air and water sensitive, heterogeneous, copper …
liquid volumes in which accelerated air and water sensitive, heterogeneous, copper …