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Cheminformatics Microservice: unifying access to open cheminformatics toolkits [PDF]
Journal of Cheminformatics, 2023 In recent years, cheminformatics has experienced significant advancements through the development of new open-source software tools based on various cheminformatics programming toolkits.
Venkata Chandrasekhar +4 more
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School of cheminformatics in Latin America [PDF]
Journal of Cheminformatics, 2023 We report the major highlights of the School of Cheminformatics in Latin America, Mexico City, November 24–25, 2022. Six lectures, one workshop, and one roundtable with four editors were presented during an online public event with speakers from academia,
Karla Gonzalez-Ponce +9 more
doaj +7 more sources
Open-Source Software Development in Cheminformatics: A Qualitative Analysis of Rationales
Applied Sciences (Switzerland), 2023 This qualitative research explored the rationales of open-source development in cheminformatics. The objective was to promote open science by mapping out and categorizing the reasons why open-source development is being carried out.
JOSÉ Hernández-Ramos +2 more
exaly +3 more sources
Journal of Cheminformatics, 2022 The abstract is available here: https://uscholar.univie.ac.at/o ...
Barbara Zdrazil, Rajarshi Guha
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Frontiers in Pharmacology, 2022 The BioChemical Library (BCL) cheminformatics toolkit is an application-based academic open-source software package designed to integrate traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity ...
Benjamin P Brown +2 more
exaly +3 more sources
LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps
Artificial Intelligence in the Life Sciences, 2022 Cheminformatics is the chemical field that deals with the storage, retrieval, analysis and manipulation of an increasing volume of available chemical data, and it plays a fundamental role in the fields of drug discovery, biology, chemistry, and ...
Carolina Leticia Bellera +2 more
exaly +3 more sources
Learning cheminformatics [PDF]
Journal of Cheminformatics, 2020 Rajarshi Guha, Egon Willighagen
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Beilstein Journal of Nanotechnology, 2023 Nanoparticles with their unique features have attracted researchers over the past decades. Heavy metals, upon release and emission, may interact with different environmental components, which may lead to co-exposure to living organisms.
Joyita Roy, Souvik Pore, Kunal Roy
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CPANNatNIC software for counter-propagation neural network to assist in read-across
Journal of Cheminformatics, 2017 Background CPANNatNIC is software for development of counter-propagation artificial neural network models. Besides the interface for training of a new neural network it also provides an interface for visualisation of the results which was developed to ...
Viktor Drgan +4 more
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