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Computer Science

Working Paper

Synchronized Conceptual Representations in Generative Learning

Serge Dolgikh

Version 1 posted 24 December 2020

160

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1

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Computer Science

Working Paper

Can Jellyfish Dream? Conceptual Representations in Unsupervised Generative Learning

Serge Dolgikh

Version 1 posted 15 April 2021

279

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4

Citations

Chemistry

Working Paper

Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations

Robin Winter, Floriane Montanari, Frank Noé, Djork-Arné Clevert

Version 1 posted 30 July 2018

1,910

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Chemistry

Working Paper

A Database Framework for Rapid Screening of Structure-Function Relationships in PFAS Chemistry

An Su, Krishna Rajan

Version 1 posted 01 July 2020

616

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Computer Science

Working Paper

Unsupervised Generative Learning and Native Explanatory Frameworks

Serge Dolgikh

Version 1 posted 20 November 2020

196

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1

Citations

Chemistry

Working Paper

Improving machine learning performance on small chemical reaction data with unsupervised contrastive pretraining

Mingjian Wen, Samuel M. Blau, Xiaowei Xie, Shyam Dwaraknath, Kristin A. Persson

Version 2 posted 11 January 2022

1,044

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Chemistry

Working Paper

Multiscale reactive model for 1,3,5-triamino-2,4,6-trinitrobenzene inferred by reactive MD simulations and unsupervised learning

Paul Lafourcade, Jean-Bernard Maillet, Jérôme Roche, Michael Sakano, Brenden Hamilton, Alejandro Strachan

Version 1 posted 14 June 2023

218

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Chemistry

Working Paper

Towards uncoding hepatotoxicity of approved drugs through navigation of multiverse and consensus chemical spaces

Edgar López-López, José L. Medina-Franco

Version 1 posted 18 October 2022

375

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Chemistry

Working Paper

The “Carbonyl-Lock” Mechanism Underlying Non-Aromatic Fluorescence in Biological Matter

Gonzalo Díaz Mirón, Jonathan A. Semelak, Luca Grisanti, Alex Rodriguez, Irene Conti, Martina Stella, Nicola Seriani, Nađa Došlić, Ivan Rivalta, Marco Garavelli, Dario A. Estrin, Gabriele S. Kaminski Schierle, Mariano C. González Lebrero, Ali Hassanali, Uriel N. Morzan

Version 1 posted 18 January 2023

557

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1

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Chemistry

Working Paper

Molecular dynamics simulations of asphaltene aggregation: machine learning identification of representative molecules, polydispersity and inhibitor performance

Rémi Pétuya, Abhishek Punase, Emanuele Bosoni, Antonio Pedro de Oliveira Filho, Juan Sarria, Nirumpam Purkayastha, Jonathan Wylde, Stephan Mohr

Version 1 posted 02 November 2022

624

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Refine Search

19 results in unsupervised learning in Keywords: unsupervised learning

Synchronized Conceptual Representations in Generative Learning

Can Jellyfish Dream? Conceptual Representations in Unsupervised Generative Learning

Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations

A Database Framework for Rapid Screening of Structure-Function Relationships in PFAS Chemistry

Unsupervised Generative Learning and Native Explanatory Frameworks

Improving machine learning performance on small chemical reaction data with unsupervised contrastive pretraining

Multiscale reactive model for 1,3,5-triamino-2,4,6-trinitrobenzene inferred by reactive MD simulations and unsupervised learning

Towards uncoding hepatotoxicity of approved drugs through navigation of multiverse and consensus chemical spaces

The “Carbonyl-Lock” Mechanism Underlying Non-Aromatic Fluorescence in Biological Matter

Molecular dynamics simulations of asphaltene aggregation: machine learning identification of representative molecules, polydispersity and inhibitor performance

19 results in Keywords: unsupervised learning