Cheminformatics

Latest research

1. Synthesis, Characterization, and Potential Applications of Menthol-Amino Acid Ester Derivatives

   • Lolakhon Ettibaeva
   • Abduaziz Ergashev
   • Alimjan Matchanov

   in Applied Biochemistry and Biotechnology

   Article 06 August 2025

   

2. MCDA applications in chemical alternatives assessment: a narrative review

   • Eero Lantto

   in Environment Systems and Decisions

   Article Open access 06 August 2025

   

3. Computation of ¹H NMR chemical shifts: structural assessment of energetic materials

   • Mohnish Mohnish
   • Vijayalakshmi Ramavath
   • Radhakrishnan Sarangapani

   in Journal of Molecular Modeling

   Article 05 August 2025

   

4. Structure and properties of 1,3,5-triazine and 1,2,4-triazole linked energetic derivatives with varied energetic functional groups

   • Zikai Gao
   • Zhihui Gu
   • Peng Ma

   in Journal of Molecular Modeling

   Article 05 August 2025

   

5. Artificial Neural Networks (ANN) Modeling for Ethanolic Propolis Extracts

   • Sevgi Kolayli
   • Fatma Yaylaci Karahalil
   • Esra Capanoglu

   in Food Biophysics

   Article 04 August 2025

6. Generative artificial intelligence based models optimization towards molecule design enhancement

   • Tarek Khater
   • Sara Awni Alkhatib
   • Vi Khanh Truong

   in Journal of Cheminformatics

   Article Open access 04 August 2025

   

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