Cheminformatics approach to exploring and modeling trait-associated metabolite profiles by Jeremy R. Ash, Melaine A. Kuenemann, Daniel Rotroff, Alison Motsinger-Reif, Denis Fourches

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Cheminformatics Models for Inhibitors of Schistosoma mansoni Thioredoxin Glutathione Reductase by Sonam Gaba, Salma Jamal, Open Source Drug Discovery Consortium, Vinod Scaria

“…We show that a combined approach of machine learning and other cheminformatics approaches such as substructure comparison and molecular docking is efficient to prioritise molecules from large molecular datasets.…”
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Comprehensive characterization of natural products of Polygonum multiflorum by cheminformatics analysis by Xiaowen Hu, Tingting Du, Zhao Wang, Feng Wei, Hua Chen, Shuangcheng Ma

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Theoretical–Cheminformatic Study of Four Indolylphytoquinones, Prospective Anticancer Candidates by Edgar Daniel Moyers-Montoya, María Jazmín Castañeda-Muñoz, Daniel Márquez-Olivas, René Miranda-Ruvalcaba, Carlos Alberto Martínez-Pérez, Perla E. García-Casillas, Wilber Montejo-López, María Inés Nicolás-Vázquez, René Gerardo Escobedo-González

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Paths to cheminformatics: Q&A with Phyo Phyo Kyaw Zin by Phyo Phyo Kyaw Zin

“…Journal of Cheminformatics…”
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Interpreting graph neural networks with Myerson values for cheminformatics approaches by Homberg, S, Janosch, M, Morris, GM, Koch, O

Optimization of extraction conditions for phytochemicals from Senna fistula using cheminformatics by Esther Oremeyi Faboro, David Oluwatobi Adekunle, Idowu Arinola Obisesan, Tomiwa Adelani Oyinlola

Subjects: “…Cheminformatics…”
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Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow by José T. Moreira-Filho, Dhruv Ranganath, Mike Conway, Charles Schmitt, Nicole Kleinstreuer, Kamel Mansouri

“…Journal of Cheminformatics…”
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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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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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