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Medicine (excluding clinical)

Protocol/Methodology

Predicting Osteoporosis Risk Through Psychological Wellness and Neural Network Classification

Vibikshyu Ananthu, Sanskaar Srivastava

Version 1 posted 16 October 2025

14

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Chemistry

Working Paper

Predicting Enzymatic Reactions with a Molecular Transformer

David Kreutter, Philippe Schwaller, Jean-Louis Reymond

Version 2 posted 10 May 2021

1,314

Downloads

1

Citations

Chemistry

Working Paper

Intuition-Enabled Machine Learning Beats the Competition When Joint Human-Robot Teams Perform Inorganic Chemical Experiments

Leroy Cronin, Vasilios Duros, Jonathan Grizou, Abhishek Sharma, Hessam Mehr, Andrius Bubliauskas, Przemysław Frei, Haralampos N. Miras

Version 1 posted 13 February 2019

1,401

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Chemistry

Working Paper

MEMES: Machine learning framework for Enhanced MolEcular Screening

Sarvesh Mehta, Siddhartha Laghuvarapu, Yashaswi Pathak, Aaftaab Sethi, Mallika Alvala, U. Deva Priyakumar

Version 2 posted 15 July 2021

1,205

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Chemistry

Working Paper

Drug Repurposing and New Therapeutic Strategies for SARS-CoV-2 Disease Using a Novel Molecular Modeling-AI Hybrid Workflow

Scott Bembenek

Version 2 posted 16 June 2020

1,266

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1

Citations

Chemistry

Working Paper

Advanced Bioinformatics Rapidly Identifies Existing Therapeutics for Patients with Coronavirus Disease - 2019 (COVID-19)

Jason Kim, Jenny zhang, Yoonjeong Cha, Sarah Kolitz, Jason Funt, Renan Escalante Chong, Scott Barrett, Ben Zeskind, Rebecca Kusko, Howard Kaufman

Version 1 posted 27 March 2020

2,033

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7

Citations

Chemistry

Working Paper

Materials Genes of Heterogeneous Catalysis from Clean Experiments and Artificial Intelligence

Lucas Foppa, Luca Ghiringhelli, Frank Girgsdies, Maike Hashagen, Pierre Kube, Michael Hävecker, Spencer J. Carey, Andrey Tarasov, Peter Kraus, Frank Rosowski, Robert Schlögl, Annette Trunschke, Matthias Scheffler

Version 1 posted 17 February 2021

673

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Chemistry

Working Paper

DeltaDelta Neural Networks for Lead Optimization of Small Molecule Potency

Jose Jimenez-Luna, Laura Pérez-Benito, Gerard Martinez-Rosell, Simone Sciabola, Rubben Torella, Gary Tresadern, Gianni De Fabritiis

Version 1 posted 05 September 2019

1,017

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Chemistry

Working Paper

Struct2IUPAC -- Transformer-Based Artificial Neural Network for the Conversion Between Chemical Notations

Lev Krasnov, Ivan Khokhlov, Maxim Fedorov, Sergey Sosnin

Version 2 posted 12 January 2021

1,631

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2

Citations

Chemistry

Working Paper

Distributed Representation of Chemical Fragments

Suman Chakravarti

Version 1 posted 20 October 2017

1,082

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Refine Search

203 results in Artificial Intelligence in Keywords: Artificial Intelligence

Predicting Osteoporosis Risk Through Psychological Wellness and Neural Network Classification

Predicting Enzymatic Reactions with a Molecular Transformer

Intuition-Enabled Machine Learning Beats the Competition When Joint Human-Robot Teams Perform Inorganic Chemical Experiments

MEMES: Machine learning framework for Enhanced MolEcular Screening

Drug Repurposing and New Therapeutic Strategies for SARS-CoV-2 Disease Using a Novel Molecular Modeling-AI Hybrid Workflow

Advanced Bioinformatics Rapidly Identifies Existing Therapeutics for Patients with Coronavirus Disease - 2019 (COVID-19)

Materials Genes of Heterogeneous Catalysis from Clean Experiments and Artificial Intelligence

DeltaDelta Neural Networks for Lead Optimization of Small Molecule Potency

Struct2IUPAC -- Transformer-Based Artificial Neural Network for the Conversion Between Chemical Notations

Distributed Representation of Chemical Fragments

203 results in Keywords: Artificial Intelligence