ChemInform Abstract: Parallel Synthesis and Reaction Optimization

An internal development project at Bristol-Myers Squibb (BMS) led to invention of a family of organic chemistry synthesis blocks for both parallel synthesis in drug discovery and parallel reaction optimization in pharmaceutical development. The internal demand for these synthesis blocks became so great that the original development team was challenged by the burden of ongoing manufacture, support, and supply chain management. As a result, BMS entered into a unique industry partnership with Mettler-Toledo AutoChem (MT), Newark, DE, formerly Bohdan Automation, to commercialize the reactor blocks and extend the product family, now known as the MiniBlock line. This manuscript describes the initial development drivers, the overall technical design, and the ultimate successful commercialization of the MiniBlock synthesis family.

Download Full-text

Parallel Synthesis of a Biased Library of Thiazolidinones as Novel Sodium Channel Antagonists

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/138620703106298653 ◽

2003 ◽

Vol 6 (5) ◽

pp. 481-488 ◽

Cited By ~ 6

Author(s):

Qun Sun ◽

Laykea Tafesse ◽

James Limberis ◽

Khondekar Islam ◽

Donald Kyle

Keyword(s):

Sodium Channel ◽

Parallel Synthesis

Download Full-text

Development of a Simple and Efficient Solution-Phase Parallel Synthesis of Flexible Non-Steroidal Estradiol Mimics

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207317666140915125620 ◽

2014 ◽

Vol 17 (9) ◽

pp. 734-744 ◽

Cited By ~ 1

Author(s):

Guy Djigoue ◽

Rene Maltais ◽

Donald Poirier

Keyword(s):

Efficient Solution ◽

Parallel Synthesis ◽

Solution Phase

Download Full-text

Solution-Phase Parallel Synthesis of N-Substituted Isoquinuclidines

Letters in Drug Design & Discovery ◽

10.2174/1570180043398597 ◽

2004 ◽

Vol 1 (4) ◽

pp. 384-386 ◽

Cited By ~ 1

Author(s):

M. Levi ◽

M. Khan ◽

R. Borne

Keyword(s):

Parallel Synthesis ◽

Solution Phase

Download Full-text

Parallel Synthesis of “Click” Chalcones as Antitubulin Agents

Medicinal Chemistry ◽

10.2174/1573406411309040004 ◽

2013 ◽

Vol 9 (4) ◽

pp. 510-516 ◽

Cited By ~ 8

Author(s):

Maleeruk Utsintong ◽

Alberto Massarotti ◽

Antonio Caldarelli ◽

Sewan Theeramunkong

Keyword(s):

Parallel Synthesis

Download Full-text

Feature Selection Algorithm for High-dimensional Biomedical Data Using Information Gain and Improved Chemical Reaction Optimization

Current Bioinformatics ◽

10.2174/1574893615666200204154358 ◽

2021 ◽

Vol 15 (8) ◽

pp. 912-926

Author(s):

Ge Zhang ◽

Pan Yu ◽

Jianlin Wang ◽

Chaokun Yan

Keyword(s):

Feature Selection ◽

Chemical Reaction ◽

Information Gain ◽

Feature Selection Method ◽

Search Space ◽

Neighborhood Search ◽

Biomedical Data ◽

Chemical Reaction Optimization ◽

Search Mechanism ◽

Reaction Optimization

Background: There have been rapid developments in various bioinformatics technologies, which have led to the accumulation of a large amount of biomedical data. However, these datasets usually involve thousands of features and include much irrelevant or redundant information, which leads to confusion during diagnosis. Feature selection is a solution that consists of finding the optimal subset, which is known to be an NP problem because of the large search space. Objective: For the issue, this paper proposes a hybrid feature selection method based on an improved chemical reaction optimization algorithm (ICRO) and an information gain (IG) approach, which called IGICRO. Methods: IG is adopted to obtain some important features. The neighborhood search mechanism is combined with ICRO to increase the diversity of the population and improve the capacity of local search. Results: Experimental results of eight public available data sets demonstrate that our proposed approach outperforms original CRO and other state-of-the-art approaches.

Download Full-text