Next-generation experimentation with self-driving laboratories
The ever-growing demand for advanced functional materials requires disruption of
conventional approaches to experimentation and acceleration of the discovery process …
conventional approaches to experimentation and acceleration of the discovery process …
Self-driving laboratories: A paradigm shift in nanomedicine development
Nanomedicines have transformed promising therapeutic agents into clinically approved
medicines with optimal safety and efficacy profiles. This is exemplified by the mRNA …
medicines with optimal safety and efficacy profiles. This is exemplified by the mRNA …
[HTML][HTML] Gryffin: An algorithm for Bayesian optimization of categorical variables informed by expert knowledge
Designing functional molecules and advanced materials requires complex design choices:
tuning continuous process parameters such as temperatures or flow rates, while …
tuning continuous process parameters such as temperatures or flow rates, while …
ChemOS: An orchestration software to democratize autonomous discovery
The key economic and societal challenges of the 21st century, including clean energy,
global health and sustainability, 1 require the scientific discovery process to be streamlined …
global health and sustainability, 1 require the scientific discovery process to be streamlined …
Golem: an algorithm for robust experiment and process optimization
Numerous challenges in science and engineering can be framed as optimization tasks,
including the maximization of reaction yields, the optimization of molecular and materials …
including the maximization of reaction yields, the optimization of molecular and materials …
Data infrastructure elements in support of accelerated materials innovation: ELA, PyMKS, and MATIN
Materials data management, analytics, and e-collaborations have been identified as three of
the main technological gaps currently hindering the realization of the accelerated …
the main technological gaps currently hindering the realization of the accelerated …
[PDF][PDF] Gryffin: An algorithm for Bayesian optimization for categorical variables informed by physical intuition with applications to chemistry
Designing functional molecules and advanced materials requires complex interdependent
design choices: tuning continuous process parameters such as temperatures or flow rates …
design choices: tuning continuous process parameters such as temperatures or flow rates …
Molecular De Novo Design Through Deep Generative Models
Machine learning (ML) and artificial intelligence (AI) have had a renaissance during the last
few years and have become a hot topic not only in drug discovery but in the whole of society …
few years and have become a hot topic not only in drug discovery but in the whole of society …
ChemOS: An Orchestration Software to Democratize Autonomous Discovery
A ASPURU-GUZIK - Artificial Intelligence in Drug Discovery, 2020 - books.google.com
The key economic and societal challenges of the 21st century, including clean energy,
global health and sustainability, 1 require the scientific discovery process to be streamlined …
global health and sustainability, 1 require the scientific discovery process to be streamlined …
[PDF][PDF] Surya R. Kalidindi, Ali Khosravani, Berkay Yucel, Apaar Shanker &
AL Blekh - researchgate.net
Materials data management, analytics, and e-collaborations have been identified as three of
the main technological gaps currently hindering the realization of the accelerated …
the main technological gaps currently hindering the realization of the accelerated …