Development of a cheminformatics platform for selectivity analyses of carbonic anhydrase inhibitors by Giulio Poli, Salvatore Galati, Adriano Martinelli, Claudiu T. Supuran, Tiziano Tuccinardi

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The ChemicalToolbox: reproducible, user-friendly cheminformatics analysis on the Galaxy platform by Simon A. Bray, Xavier Lucas, Anup Kumar, Björn A. Grüning

Subjects: “…Cheminformatics…”
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Discovering pesticides and their TPs in Luxembourg waters using open cheminformatics approaches by Jessy Krier, Randolph R. Singh, Todor Kondić, Adelene Lai, Philippe Diderich, Jian Zhang, Paul A. Thiessen, Evan E. Bolton, Emma L. Schymanski

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Cheminformatics-Based Design and Synthesis of Hydroxyapatite/Collagen Nanocomposites for Biomedical Applications by Mohamed Aaddouz, Khalil Azzaoui, Rachid Sabbahi, Moulay Hfid Youssoufi, Meryem Idrissi Yahyaoui, Abdeslam Asehraou, Mohamed El Miz, Belkheir Hammouti, Sergey Shityakov, Mohamed Siaj, Elmiloud Mejdoubi

“…This paper presents a novel cheminformatics approach for the design and synthesis of hydroxyapatite/collagen nanocomposites, which have potential biomedical applications in tissue engineering, drug delivery, and orthopedic and dental implants. …”
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Chemometrics and cheminformatics in the analysis of biologically active peptides from food sources by Anna Iwaniak, Piotr Minkiewicz, Małgorzata Darewicz, Monika Protasiewicz, Damir Mogut

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Open-Source Software Development in Cheminformatics: A Qualitative Analysis of Rationales by Johannes Pernaa, Aleksi Takala, Veysel Ciftci, José Hernández-Ramos, Lizethly Cáceres-Jensen, Jorge Rodríguez-Becerra

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Paths to Cheminformatics: Q&A with Norberto Sánchez-Cruz and Emma Schymanski by Norberto Sánchez-Cruz, Emma L. Schymanski

“…Journal of Cheminformatics…”
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Advancing Cheminformatics—A Theme Issue in Honor of Professor Jürgen Bajorath by Martin Vogt

“…While cheminformatics problems have been actively researched since the early 1960s, as witnessed by the QSAR approaches developed by Toshio Fujita and Corwin Hansch [...]…”
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Cheminformatic Characterization of Natural Antimicrobial Products for the Development of New Lead Compounds by Samson Olaitan Oselusi, Alan Christoffels, Samuel Ayodele Egieyeh

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Cheminformatics-Based Study Identifies Potential Ebola VP40 Inhibitors by Emmanuel Broni, Carolyn Ashley, Joseph Adams, Hammond Manu, Ebenezer Aikins, Mary Okom, Whelton A. Miller, Michael D. Wilson, Samuel K. Kwofie

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Leveraging Cheminformatics Strategies for Inorganic Discovery: Application to Redox Potential Design by Janet, Jon Paul, Gani, Terry Zhi Hao, Steeves, Adam H., Ioannidis, Efthymios Ioannis, Kulik, Heather Janine

“…We also provide an overview of how multimillion molecule organic libraries can be leveraged for inorganic discovery alongside cheminformatics concepts of molecular diversity in order to efficiently traverse chemical space. …”
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Chemoinformatics approach to virtual screening / by Varnek, Alexandre, Tropsha, Alex

Subjects: “…Cheminformatics…”

An introduction to chemoinformatics / by 397992 Leach, Andrew R., Gillet, Vincent J.

Subjects: “…Cheminformatics…”

Handbook of chemoinformatics : from data to knowledge / by Gasteiger, Johann

Subjects: “…Cheminformatics…”

Chemoinformatics : a textbook / by Gasteiger, Johann, Engel, Thomas

Subjects: “…Cheminformatics…”

Advanced methods and applications in chemoinformatics : research progress and new applications / by Castro, E. A. (Eduardo Alberto), 1944-, Haghi, A. K.

Subjects: “…Cheminformatics…”

Chemoinformatics : advanced control & computational techniques / by Gilani, Hossein G., Samper, Katia G., Haghi, Reza K.

Subjects: “…Cheminformatics…”

Chemoinformatics : theory, practice, & products / by Bunin, Barry A.

Subjects: “…Cheminformatics…”
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Novel reaction-based De Novo molecular design in 2D & 3D using deep Q-Learning by Goto, A

Subjects: “…Cheminformatics…”

A Cheminformatics Study Regarding the Human Health Risks Assessment of the Stereoisomers of Difenoconazole by Denisa Ioana Voiculescu, Diana Larisa Roman, Vasile Ostafe, Adriana Isvoran

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