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Yuliia Pavlovska

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REVIEW ARTICLE
Chemistry
Best practices in machine learning for chemistry. Article review
11/10/2023| By
Yuliia Yuliia Pavlovska

Chemistry has experienced a fundamental shift toward the use of statistical modeling and analysis in the constantly changing world of scientific research. These technologies have proven to be priceless resources that go beyond the limitations of human intuition and help researchers discover brand-new, elusive links. Chemspace offers a comprehensive service that combines DNA-encoded libraries (DEL), machine-learning models, and large chemical spaces to enhance early Drug Discovery. This approach, initially introduced by Kevin McCloskey et al., has shown promising results in obtaining active compounds for screening. Chemspace’s full-service approach includes DEL screening, machine-learning model development, and the provision of potentially active compounds, making it ideal for projects with limited structural or activity data.

05/09/2023| By
Yuliia Yuliia Pavlovska,
Oleksii Oleksii Gavrylenko

In today’s world, the advent of certain technologies has made problem-solving easier. For instance, computational chemistry has enabled rapid resolution of chemical issues, while mathematics and computer tasks have been streamlined. Chemists can simulate experimental outcomes and determine material properties. Additionally, there’s a growing integration of Machine Learning (ML) concepts and algorithms in various fields.

 17 views
22/08/2023| By
Oleksii Oleksii Gavrylenko

In today’s fast-paced world, technology permeates every aspect of our lives. From the way we live, work, and play, to the revolutionary advancements in various fields, one particular area that stands out is Artificial Intelligence (AI) and its close companion, Machine Learning (ML). These cutting-edge technologies have brought about significant changes and improvements across multiple industries, including the scientific community. How much do people know about these unique aforementioned developments?

 50 views