Visualization of Very Large High-Dimensional Data Sets as Minimum Spanning Trees

16 August 2019

Papers citing "Visualization of Very Large High-Dimensional Data Sets as Minimum Spanning Trees"

14 / 14 papers shown

Title
NaFM: Pre-training a Foundation Model for Small-Molecule Natural Products Yuheng Ding Bo Qiang Yiran Zhou Jie Yu Qi Li Liangren Zhang Yusong Wang Zhenmin Liu 228 0 0 22 Mar 2025
MassSpecGym: A benchmark for the discovery and identification of molecules Roman Bushuiev Anton Bushuiev Niek F. de Jonge A. Young Fleming Kretschmer ... Justin J. J. van der Hooft Michael A. Stravs Sebastian Böcker Josef Sivic Tomáš Pluskal 54 4 0 17 Feb 2025
A novel TLS-based Fingerprinting approach that combines feature expansion and similarity mapping Amanda Thomson Leandros A. Maglaras Naghmeh Moradpoor 18 0 0 04 Oct 2024
BatGPT-Chem: A Foundation Large Model For Retrosynthesis Prediction Yifei Yang Runhan Shi Zuchao Li Shu Jiang Bao-Liang Lu Yang Yang Hai Zhao 28 3 0 19 Aug 2024
Transfer Learning across Different Chemical Domains: Virtual Screening of Organic Materials with Deep Learning Models Pretrained on Small Molecule and Chemical Reaction Data Chengwei Zhang Yushuang Zhai Ziyang Gong Hongliang Duan Yuan-Bin She Yun-Fang Yang An Su 21 7 0 30 Nov 2023
URLOST: Unsupervised Representation Learning without Stationarity or Topology Zeyu Yun Juexiao Zhang Bruno A. Olshausen Yann LeCun 31 0 0 06 Oct 2023
Super forecasting the technological singularity risks from artificial intelligence P. Radanliev D. De Roure Carsten Maple U. Ani 20 35 0 28 Dec 2022
Review of the state of the art in autonomous artificial intelligence P. Radanliev D. De Roure 15 12 0 17 Oct 2022
BioNavi-NP: Biosynthesis Navigator for Natural Products Shuangjia Zheng Tao Zeng Chengtao Li Binghong Chen Connor W. Coley Yuedong Yang Ruibo Wu 6 3 0 26 May 2021
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks P. Schwaller Daniel Probst Alain C. Vaucher Vishnu H. Nair D. Kreutter Teodoro Laino J. Reymond 149 225 0 09 Dec 2020
ChemVA: Interactive Visual Analysis of Chemical Compound Similarity in Virtual Screening María Virginia Sabando Pavol Ulbrich M. Selzer Jan Byvska Jan Mivcan I. Ponzoni Axel J. Soto M. L. Ganuza Barbora Kozlíková 12 10 0 30 Aug 2020
Extracting the main trend in a dataset: the Sequencer algorithm D. Baron B. Ménard 6 13 0 24 Jun 2020
$PaccMann$^{RL}$ on SARS-CoV-2: Designing antiviral candidates with conditional generative models$ PaccMann $^{RL}$ on SARS-CoV-2: Designing antiviral candidates with conditional generative models Jannis Born Matteo Manica Joris Cadow Greta Markert N. Mill Modestas Filipavicius María Rodríguez Martínez 37 4 0 27 May 2020
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 251 1,787 0 02 Mar 2017