Literature DB >> 32468207

Artificial intelligence in chemistry and drug design.

Nathan Brown1, Peter Ertl2, Richard Lewis3, Torsten Luksch4, Daniel Reker5,6, Nadine Schneider2.   

Abstract

Year:  2020        PMID： 32468207     DOI： 10.1007/s10822-020-00317-x

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


× No keyword cloud information.
  16 in total

1.  The Brazilian compound library (BraCoLi) database: a repository of chemical and biological information for drug design.

Authors:  Gabriel Corrêa Veríssimo; Valtair Severino Dos Santos Júnior; Ingrid Ariela do Rosário de Almeida; Marina Sant'Anna Mitraud Ruas; Lukas Galuppo Coutinho; Renata Barbosa de Oliveira; Ricardo José Alves; Vinícius Gonçalves Maltarollo
Journal:  Mol Divers       Date:  2022-01-28       Impact factor: 2.943

2.  Critical assessment of methods of protein structure prediction (CASP)-Round XIV.

Authors:  Andriy Kryshtafovych; Torsten Schwede; Maya Topf; Krzysztof Fidelis; John Moult
Journal:  Proteins       Date:  2021-10-07

3.  Memory augmented recurrent neural networks for de-novo drug design.

Authors:  Naveen Suresh; Neelesh Chinnakonda Ashok Kumar; Srikumar Subramanian; Gowri Srinivasa
Journal:  PLoS One       Date:  2022-06-23       Impact factor: 3.752

4.  Prediction of Chromatography Conditions for Purification in Organic Synthesis Using Deep Learning.

Authors:  Mantas Vaškevičius; Jurgita Kapočiūtė-Dzikienė; Liudas Šlepikas
Journal:  Molecules       Date:  2021-04-23       Impact factor: 4.411

Review 5.  Artificial intelligence to deep learning: machine intelligence approach for drug discovery.

Authors:  Rohan Gupta; Devesh Srivastava; Mehar Sahu; Swati Tiwari; Rashmi K Ambasta; Pravir Kumar
Journal:  Mol Divers       Date:  2021-04-12       Impact factor: 3.364

6.  Expanding the Chemical Information Science gateway.

Authors:  José L Medina-Franco
Journal:  F1000Res       Date:  2021-04-16

7.  Machine learning-accelerated quantum mechanics-based atomistic simulations for industrial applications.

Authors:  Tobias Morawietz; Nongnuch Artrith
Journal:  J Comput Aided Mol Des       Date:  2020-10-09       Impact factor: 3.686

8.  Models of necessity.

Authors:  Timothy Clark; Martin G Hicks
Journal:  Beilstein J Org Chem       Date:  2020-07-13       Impact factor: 2.883

9.  Generating Multibillion Chemical Space of Readily Accessible Screening Compounds.

Authors:  Oleksandr O Grygorenko; Dmytro S Radchenko; Igor Dziuba; Alexander Chuprina; Kateryna E Gubina; Yurii S Moroz
Journal:  iScience       Date:  2020-10-15

Review 10.  Chemistry in Times of Artificial Intelligence.

Authors:  Johann Gasteiger
Journal:  Chemphyschem       Date:  2020-09-28       Impact factor: 3.102
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.