Literature DB >> 30613315

Artificial Intelligence in Drug Design-The Storm Before the Calm?

Allan M Jordan1.   

Abstract

Artificial intelligence in drug design in experiencing a wave of excitement not seen since the emergence of computational chemistry in the late 1980s and early 1990s. Apparently failing to learn the lessons of recent history, we are promised imminent and pervasive solutions to the ills of drug design and significant increases in productivity as we seek to deliver innovative new therapeutics. However, do significant issues remain to be answered before AI enters the day-to-day toolbox of the practicing medicinal chemist?

Entities:  

Year:  2018        PMID: 30613315      PMCID: PMC6295848          DOI: 10.1021/acsmedchemlett.8b00500

Source DB:  PubMed          Journal:  ACS Med Chem Lett        ISSN: 1948-5875            Impact factor:   4.345


  9 in total

Review 1.  Rethinking drug design in the artificial intelligence era.

Authors:  Petra Schneider; W Patrick Walters; Alleyn T Plowright; Norman Sieroka; Jennifer Listgarten; Robert A Goodnow; Jasmin Fisher; Johanna M Jansen; José S Duca; Thomas S Rush; Matthias Zentgraf; John Edward Hill; Elizabeth Krutoholow; Matthias Kohler; Jeff Blaney; Kimito Funatsu; Chris Luebkemann; Gisbert Schneider
Journal:  Nat Rev Drug Discov       Date:  2019-12-04       Impact factor: 84.694

Review 2.  Artificial intelligence in molecular imaging.

Authors:  Edward H Herskovits
Journal:  Ann Transl Med       Date:  2021-05

Review 3.  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

4.  Securing the future of research computing in the biosciences.

Authors:  Joanna Leng; Massa Shoura; Tom C B McLeish; Alan N Real; Mariann Hardey; James McCafferty; Neil A Ranson; Sarah A Harris
Journal:  PLoS Comput Biol       Date:  2019-05-16       Impact factor: 4.475

Review 5.  Unveiling the druggable RNA targets and small molecule therapeutics.

Authors:  Joanna Sztuba-Solinska; Gabriela Chavez-Calvillo; Sabrina Elizabeth Cline
Journal:  Bioorg Med Chem       Date:  2019-03-30       Impact factor: 3.641

6.  Exploring Novel Biologically-Relevant Chemical Space Through Artificial Intelligence: The NCATS ASPIRE Program.

Authors:  Katharine K Duncan; Dobrila D Rudnicki; Christopher P Austin; Danilo A Tagle
Journal:  Front Robot AI       Date:  2020-01-10

7.  Application of Machine-Learning Methods to Recognize mitoBK Channels from Different Cell Types Based on the Experimental Patch-Clamp Results.

Authors:  Monika Richter-Laskowska; Paulina Trybek; Piotr Bednarczyk; Agata Wawrzkiewicz-Jałowiecka
Journal:  Int J Mol Sci       Date:  2021-01-15       Impact factor: 5.923

8.  Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.

Authors:  Thomas J Struble; Juan C Alvarez; Scott P Brown; Milan Chytil; Justin Cisar; Renee L DesJarlais; Ola Engkvist; Scott A Frank; Daniel R Greve; Daniel J Griffin; Xinjun Hou; Jeffrey W Johannes; Constantine Kreatsoulas; Brian Lahue; Miriam Mathea; Georg Mogk; Christos A Nicolaou; Andrew D Palmer; Daniel J Price; Richard I Robinson; Sebastian Salentin; Li Xing; Tommi Jaakkola; William H Green; Regina Barzilay; Connor W Coley; Klavs F Jensen
Journal:  J Med Chem       Date:  2020-04-14       Impact factor: 7.446

9.  The future of biomolecular simulation in the pharmaceutical industry: what we can learn from aerodynamics modelling and weather prediction. Part 1. understanding the physical and computational complexity of in silico drug design.

Authors:  Tom Edwards; Nicolas Foloppe; Sarah Anne Harris; Geoff Wells
Journal:  Acta Crystallogr D Struct Biol       Date:  2021-10-27       Impact factor: 7.652

  9 in total

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