Results 151 to 160 of about 89,355 (193)

Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems

Chemical Reviews, 2021
Alexandre Tkatchenko, Bingqing Cheng, John A Keith   +2 more
exaly  

From Ends to Means: The Promise of Computational Text Analysis for Theoretically Driven Sociological Research

, 2022
Bart Bonikowski, Laura K. Nelson
openalex   +1 more source

Free and open source software for computational chemistry education

Wiley Interdisciplinary Reviews: Computational Molecular Science, 2022
Susi Lehtola, Antti J Karttunen
exaly  

The challenge of predicting distal active site mutations in computational enzyme design

Wiley Interdisciplinary Reviews: Computational Molecular Science, 2021
Sílvia Osuna
exaly  

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  

Exploring the constitution of biomedicine through the lens of science and technology studies. From local ethnographies to computational sociology and back. A dialogue with Alberto Cambrosio

, 2021
Stefano Crabu
openalex   +1 more source

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  

Interdisciplinary perspectives on discourse: Views from sociology, linguistics, computational linguistics and an empirical approach

, 1999
Julia Lavid
openalex   +1 more source