Rethinking drug design in the artificial intelligence era (Q91698273)

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24 April 2020

review article

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title

Rethinking drug design in the artificial intelligence era (English)

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24 April 2020

main subject

artificial intelligence

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5

1 reference

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24 April 2020

Jasmin Fisher

7

1 reference

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24 April 2020

Gisbert Schneider

18

1 reference

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24 April 2020

16

Kimito Funatsu

1 reference

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24 April 2020

1

Petra Schneider

1 reference

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24 April 2020

author name string

W Patrick Walters

2

1 reference

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24 April 2020

Alleyn T Plowright

3

1 reference

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24 April 2020

Norman Sieroka

4

1 reference

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24 April 2020

Robert A Goodnow

6

1 reference

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24 April 2020

Johanna M Jansen

8

1 reference

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24 April 2020

José S Duca

9

1 reference

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24 April 2020

Thomas S Rush

10

1 reference

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24 April 2020

Matthias Zentgraf

11

1 reference

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24 April 2020

John Edward Hill

12

1 reference

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24 April 2020

Elizabeth Krutoholow

13

1 reference

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24 April 2020

Matthias Kohler

14

1 reference

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24 April 2020

Jeff Blaney

15

1 reference

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24 April 2020

Chris Luebkemann

17

1 reference

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24 April 2020

publication date

4 December 2019

1 reference

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Nature Reviews Drug Discovery

24 April 2020

published in

1 reference

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Trends in clinical success rates

24 April 2020

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Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets.

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Opportunities and challenges in phenotypic drug discovery: an industry perspective

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Deep Learning Applications for Predicting Pharmacological Properties of Drugs and Drug Repurposing Using Transcriptomic Data

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An approach towards enhancement of a screening library: The Next Generation Library Initiative (NGLI) at Bayer - against all odds?

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7 January 2021

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7 January 2021

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Tuning artificial intelligence on the de novo design of natural-product-inspired retinoid X receptor modulators

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Executable cell biology

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Cell-Specific Computational Modeling of the PIM Pathway in Acute Myeloid Leukemia.

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7 January 2021

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7 January 2021

Improving Drug Design: An Update on Recent Applications of Efficiency Metrics, Strategies for Replacing Problematic Elements, and Compounds in Nontraditional Drug Space

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7 January 2021

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7 January 2021

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7 January 2021

Chemical predictive modelling to improve compound quality

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7 January 2021

Extending 'predict first' to the design-make-test cycle in small-molecule drug discovery

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7 January 2021

Making medicinal chemistry more effective--application of Lean Sigma to improve processes, speed and quality

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7 January 2021

Organic synthesis provides opportunities to transform drug discovery.

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7 January 2021

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High-Throughput Automation in Chemical Process Development.

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7 January 2021

Make way for robot scientists.

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7 January 2021

Autonomous Molecular Design: Then and Now

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Drug discovery chemistry: a primer for the non-specialist

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7 January 2021

The medicinal chemist's toolbox: an analysis of reactions used in the pursuit of drug candidates.

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7 January 2021

Stuck in a rut with old chemistry

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7 January 2021

Expanding the medicinal chemistry synthetic toolbox

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7 January 2021

Multi-parameter optimization: identifying high quality compounds with a balance of properties

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7 January 2021

Practical application of ligand efficiency metrics in lead optimisation

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7 January 2021

Matched molecular pairs as a medicinal chemistry tool

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7 January 2021

The automation of science.

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7 January 2021

Artificial Intelligence in Drug Design

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7 January 2021

Computer-Assisted Synthetic Planning: The End of the Beginning.

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Planning chemical syntheses with deep neural networks and symbolic AI.

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Machine Learning in Computer-Aided Synthesis Planning.

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7 January 2021

Reconfigurable system for automated optimization of diverse chemical reactions

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7 January 2021

Deep learning enables rapid identification of potent DDR1 kinase inhibitors

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7 January 2021

Structural Mechanisms Determining Inhibition of the Collagen Receptor DDR1 by Selective and Multi-Targeted Type II Kinase Inhibitors

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7 January 2021

Generative Recurrent Networks for De Novo Drug Design.

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7 January 2021

Synthetic Activators of Cell Migration Designed by Constructive Machine Learning

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7 January 2021

Critical Thinking in Education and Research-Why and How?

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7 January 2021

Scientific competency questions as the basis for semantically enriched open pharmacological space development

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7 January 2021

High-performance medicine: the convergence of human and artificial intelligence

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7 January 2021

AI could threaten pharmaceutical patents

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7 January 2021

Dilemma over AI and drug patenting already under debate

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7 January 2021

Healthy skepticism: assessing realistic model performance

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7 January 2021

Uniting cheminformatics and chemical theory to predict the intrinsic aqueous solubility of crystalline druglike molecules

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7 January 2021

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7 January 2021

"Found in Translation": predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models

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7 January 2021

Chemical Space Mimicry for Drug Discovery

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7 January 2021

Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks

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7 January 2021

Deep reinforcement learning for de novo drug design

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7 January 2021

Multidimensional De Novo Design Reveals 5-HT2BReceptor-Selective Ligands

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7 January 2021

Multi-objective molecular de novo design by adaptive fragment prioritization.

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7 January 2021

Closing the Loop: Developing an Integrated Design, Make, and Test Platform for Discovery

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7 January 2021

Organs-on-chips at the frontiers of drug discovery

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7 January 2021

Drug Discovery Goes Three-Dimensional: Goodbye to Flat High-Throughput Screening?

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7 January 2021

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7 January 2021

The Molecular Industrial Revolution: Automated Synthesis of Small Molecules

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7 January 2021

Integrated Platform for Expedited Synthesis-Purification-Testing of Small Molecule Libraries

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7 January 2021

Enabling Chemistry Technologies and Parallel Synthesis-Accelerators of Drug Discovery Programmes.

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7 January 2021

Design, Synthesis, and Testing of Potent, Selective Hepsin Inhibitors via Application of an Automated Closed-Loop Optimization Platform.

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7 January 2021

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7 January 2021

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Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31801986%20AND%20SRC:MED&resulttype=core&format=json

24 April 2020

1 reference