Results 331 to 340 of about 2,598,515 (356)

Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning

Chemical Reviews, 2021
Aditya Nandy, Chenru Duan, Michael G Taylor   +2 more
exaly  

Advances and Open Problems in Federated Learning

Foundations and Trends in Machine Learning, 2021
Han Yu, Ana Cecilia Boetto
exaly  

A critical overview of computational approaches employed for COVID-19 drug discovery

Chemical Society Reviews, 2021
Alexander Tropsha, Alexandre Varnek, Alexey V Zakharov   +2 more
exaly  

Quantum computational chemistry

Reviews of Modern Physics, 2020
Sam Mcardle, Suguru Endo, Simon C Benjamin   +2 more
exaly  

Artificial intelligence in cancer imaging: Clinical challenges and applications

Ca-A Cancer Journal for Clinicians, 2019
Wenya Linda Bi, Ahmed Hosny, Matthew B Schabath   +2 more
exaly  

Computational Studies of Carboxylate-Assisted C–H Activation and Functionalization at Group 8–10 Transition Metal Centers

Chemical Reviews, 2017
David L Davies, Stuart A Macgregor, Claire L Mcmullin   +2 more
exaly  

Direct Input of Toxicologic Data to the Computer

Clinical Toxicology, 1974
Arthur R. Gregory, Irwin D. J. Bross
openaire   +3 more sources

Applications of Molecular Dynamics Simulations in Computational Toxicology

Challenges and Advances in Computational Chemistry and Physics, 2019
S. Sakkiah, R. Kusko, W. Tong, H. Hong
semanticscholar   +1 more source

Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities

Chemical Reviews, 2019
Konstantinos D Vogiatzis, Mikhail V Polynski, Chong Liu   +2 more
exaly  

Advances in Computational Toxicology: Methodologies and Applications in Regulatory Science

Challenges and Advances in Computational Chemistry and Physics, 2019

semanticscholar   +1 more source