Literature DB >> 34059804

Best practices in machine learning for chemistry.

Nongnuch Artrith1,2, Keith T Butler3, François-Xavier Coudert4, Seungwu Han5, Olexandr Isayev6,7, Anubhav Jain8, Aron Walsh9,10.   

Abstract

Year:  2021        PMID： 34059804     DOI： 10.1038/s41557-021-00716-z

Source DB:  PubMed          Journal:  Nat Chem        ISSN： 1755-4330            Impact factor:   24.427


× No keyword cloud information.
  20 in total

Review 1.  Artificial Intelligence Applied to Battery Research: Hype or Reality?

Authors:  Teo Lombardo; Marc Duquesnoy; Hassna El-Bouysidy; Fabian Årén; Alfonso Gallo-Bueno; Peter Bjørn Jørgensen; Arghya Bhowmik; Arnaud Demortière; Elixabete Ayerbe; Francisco Alcaide; Marine Reynaud; Javier Carrasco; Alexis Grimaud; Chao Zhang; Tejs Vegge; Patrik Johansson; Alejandro A Franco
Journal:  Chem Rev       Date:  2021-09-16       Impact factor: 72.087

Review 2.  Into the Unknown: How Computation Can Help Explore Uncharted Material Space.

Authors:  Austin M Mroz; Victor Posligua; Andrew Tarzia; Emma H Wolpert; Kim E Jelfs
Journal:  J Am Chem Soc       Date:  2022-10-07       Impact factor: 16.383

3.  Identifying structure-absorption relationships and predicting absorption strength of non-fullerene acceptors for organic photovoltaics.

Authors:  Jun Yan; Xabier Rodríguez-Martínez; Drew Pearce; Hana Douglas; Danai Bili; Mohammed Azzouzi; Flurin Eisner; Alise Virbule; Elham Rezasoltani; Valentina Belova; Bernhard Dörling; Sheridan Few; Anna A Szumska; Xueyan Hou; Guichuan Zhang; Hin-Lap Yip; Mariano Campoy-Quiles; Jenny Nelson
Journal:  Energy Environ Sci       Date:  2022-05-20       Impact factor: 39.714

4.  Data-Centric Architecture for Self-Driving Laboratories with Autonomous Discovery of New Nanomaterials.

Authors:  Maria A Butakova; Andrey V Chernov; Oleg O Kartashov; Alexander V Soldatov
Journal:  Nanomaterials (Basel)       Date:  2021-12-21       Impact factor: 5.076

5.  Multi-fidelity prediction of molecular optical peaks with deep learning.

Authors:  Kevin P Greenman; William H Green; Rafael Gómez-Bombarelli
Journal:  Chem Sci       Date:  2022-01-04       Impact factor: 9.825

Review 6.  Natural product drug discovery in the artificial intelligence era.

Authors:  F I Saldívar-González; V D Aldas-Bulos; J L Medina-Franco; F Plisson
Journal:  Chem Sci       Date:  2021-12-13       Impact factor: 9.825

Review 7.  Smart Materials Prediction: Applying Machine Learning to Lithium Solid-State Electrolyte.

Authors:  Qianyu Hu; Kunfeng Chen; Fei Liu; Mengying Zhao; Feng Liang; Dongfeng Xue
Journal:  Materials (Basel)       Date:  2022-02-02       Impact factor: 3.623

8.  Fuzzy Logic, Artificial Neural Network, and Adaptive Neuro-Fuzzy Inference Methodology for Soft Computation and Modeling of Ion Sensing Data of a Terpyridyl-Imidazole Based Bifunctional Receptor.

Authors:  Anik Sahoo; Sujoy Baitalik
Journal:  Front Chem       Date:  2022-03-23       Impact factor: 5.221

9.  Use of machine learning in osteoarthritis research: a systematic literature review.

Authors:  Encarnita Mariotti-Ferrandiz; Jérémie Sellam; Marie Binvignat; Valentina Pedoia; Atul J Butte; Karine Louati; David Klatzmann; Francis Berenbaum
Journal:  RMD Open       Date:  2022-03

10.  Multiple linear regression models for predicting the n‑octanol/water partition coefficients in the SAMPL7 blind challenge.

Authors:  Kenneth Lopez; Silvana Pinheiro; William J Zamora
Journal:  J Comput Aided Mol Des       Date:  2021-07-12       Impact factor: 3.686
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.