Literature DB >> 29577971

Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?

Edward J Griffen1, Alexander G Dossetter2, Andrew G Leach3, Shane Montague2.   

Abstract

AI comes to lead optimization: medicinal chemistry in all disease areas can be accelerated by exploiting our pre-competitive knowledge in an unbiased way.
Copyright © 2018 Elsevier Ltd. All rights reserved.

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Year:  2018        PMID： 29577971     DOI： 10.1016/j.drudis.2018.03.011

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN： 1359-6446            Impact factor:   7.851


  9 in total

Review 1.  Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling.

Authors:  Linlin Zhao; Heather L Ciallella; Lauren M Aleksunes; Hao Zhu
Journal:  Drug Discov Today       Date:  2020-07-11       Impact factor: 7.851

Review 2.  Expanding the medicinal chemistry synthetic toolbox.

Authors:  Jonas Boström; Dean G Brown; Robert J Young; György M Keserü
Journal:  Nat Rev Drug Discov       Date:  2018-08-24       Impact factor: 84.694

3.  Machine Learning Algorithm Identifies an Antibiotic Vocabulary for Permeating Gram-Negative Bacteria.

Authors:  Rachael A Mansbach; Inga V Leus; Jitender Mehla; Cesar A Lopez; John K Walker; Valentin V Rybenkov; Nicolas W Hengartner; Helen I Zgurskaya; S Gnanakaran
Journal:  J Chem Inf Model       Date:  2020-06-09       Impact factor: 4.956

Review 4.  Developments with 3D bioprinting for novel drug discovery.

Authors:  Aishwarya Satpathy; Pallab Datta; Yang Wu; Bugra Ayan; Ertugrul Bayram; Ibrahim T Ozbolat
Journal:  Expert Opin Drug Discov       Date:  2018-11-01       Impact factor: 6.098

5.  Novel applications of Machine Learning in cheminformatics.

Authors:  Ola Spjuth
Journal:  J Cheminform       Date:  2018-09-06       Impact factor: 5.514

6.  Foundations of data-driven medicinal chemistry.

Authors:  Jürgen Bajorath
Journal:  Future Sci OA       Date:  2018-06-28

Review 7.  Deep Learning for Deep Chemistry: Optimizing the Prediction of Chemical Patterns.

Authors:  Tânia F G G Cova; Alberto A C C Pais
Journal:  Front Chem       Date:  2019-11-26       Impact factor: 5.221

8.  Quantum Artificial Neural Network Approach to Derive a Highly Predictive 3D-QSAR Model for Blood-Brain Barrier Passage.

Authors:  Taeho Kim; Byoung Hoon You; Songhee Han; Ho Chul Shin; Kee-Choo Chung; Hwangseo Park
Journal:  Int J Mol Sci       Date:  2021-10-12       Impact factor: 5.923

9.  A Consensus Compound/Bioactivity Dataset for Data-Driven Drug Design and Chemogenomics.

Authors:  Laura Isigkeit; Apirat Chaikuad; Daniel Merk
Journal:  Molecules       Date:  2022-04-13       Impact factor: 4.927
  9 in total

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