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Computer Science

Working Paper

ARTIFICIAL INTELLIGENCE IN MARKETING

S M Nazmuz Sakib

Version 1 posted 12 August 2022

6,364

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Chemistry

Working Paper

Artificial Intelligence-Enhanced Quantum Chemical Method with Broad Applicability

Peikun Zheng, Roman Zubatyuk, Wei Wu, Olexandr Isayev, Pavlo O. Dral

Version 1 posted 23 July 2021

1,012

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Chemistry

Working Paper

Generative AI Design and Exploration of Nucleoside Analogs

Damien Dablain, Geoffrey Siwo, Nitesh Chawla

Version 1 posted 02 November 2021

1,250

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4

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General Science

Poster

BENEFITS OF ARTIFICIAL INTELLIGENCE

S M Nazmuz Sakib

Version 1 posted 17 May 2022

78

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Chemistry

Working Paper

On the Fly Determination of the Substrate Activation in Hydrolases Using a Neural Network

Maria Khrenova, Alexandra Krivitskaya, Alexander Nemukhin

Version 1 posted 24 August 2022

303

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Chemistry

Working Paper

National Institutes of Health (NIH) Workshop on Reaction Informatics

Wendy Warr

Version 1 posted 19 August 2021

2,826

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5

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Chemistry

Working Paper

Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation

Morgan Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf

Version 1 posted 15 April 2022

796

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1

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Chemistry

Working Paper

Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting

David Buterez, Jon Paul Janet, Steven Kiddle, Dino Oglic, Pietro Liò

Version 3 posted 19 January 2024

2,311

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Computer Science

Presentation

Can AI save endangered languages? Learning theories, language and AI

Ahmed Zaidi

Version 1 posted 12 July 2021

208

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Chemistry

Working Paper

Lib-INVENT: Reaction Based Generative Scaffold Decoration for in silico Library Design

Vendy Fialkova, Jiaxi Zhao, Kostas Papadopoulos, Ola Engkvist, Esben Jannik Bjerrum, Thierry Kogej, Atanas Patronov

Version 2 posted 20 August 2021

2,574

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1

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57 results in AI in Keywords: AI

ARTIFICIAL INTELLIGENCE IN MARKETING

Artificial Intelligence-Enhanced Quantum Chemical Method with Broad Applicability

Generative AI Design and Exploration of Nucleoside Analogs

BENEFITS OF ARTIFICIAL INTELLIGENCE

On the Fly Determination of the Substrate Activation in Hydrolases Using a Neural Network

National Institutes of Health (NIH) Workshop on Reaction Informatics

Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation

Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting

Can AI save endangered languages? Learning theories, language and AI

Lib-INVENT: Reaction Based Generative Scaffold Decoration for in silico Library Design

57 results in Keywords: AI