iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules-Reference-Cited by-同舟云学术

iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules

Published:2022-06-10 Issue:12 Volume:62 Page:2987-2998
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Prada Gori Denis N.¹^ORCID,Llanos Manuel A.¹^ORCID,Bellera Carolina L.¹,Talevi Alan¹^ORCID,Alberca Lucas N.¹^ORCID

Affiliation:

1. Laboratory of Bioactive Compounds Research and Development (LIDeB), Department of Biological Sciences, Faculty of Exact Sciences, National University of La Plata (UNLP), La Plata B1900ADU, Argentina

Funder

Consejo Nacional de Investigaciones Cient?ficas y T?cnicas

Universidad Nacional de La Plata

Fondo para la Investigaci?n Cient?fica y Tecnol?gica

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00265

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2. Evaluation of Cross-Validation Strategies in Sequence-Based Binding Prediction Using Deep Learning

3. In Silico Searching for Alternative Lead Compounds to Treat Type 2 Diabetes through a QSAR and Molecular Dynamics Study

4. High-Throughput Screen for Inhibitors of Klebsiella pneumoniae Virulence Using a Tetrahymena pyriformis Co-Culture Surrogate Host Model

5. Industrial scale high-throughput screening delivers multiple fast acting macrofilaricides

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