Gerardo M. Casañola‐Martín

10 works

Department of Pharmacy, Faculty of Chemistry-Pharmacy, Central University of Las Villas, Santa Clara, 54830 Villa Clara, Cuba

1. New tyrosinase inhibitors selected by atomic linear indices-based classification models

   Gerardo M. Casañola‐Martín, Mahmud Tareq Hassan Khan, Yovani Marrero‐Ponce +3

   ArticleComputational Drug Discovery MethodsBioorganic & Medicinal Chemistry Letters20051 citations

   ABIABI:AkademIndex/openalex/2005.article.000045

2. Atom‐Based 2D Quadratic Indices in Drug Discovery of Novel Tyrosinase Inhibitors: Results of <i>In Silico</i> Studies Supported by Experimental Results

   Yovani Marrero Ponce, Mahmud Tareq Hassan Khan, Gerardo M. Casañola‐Martín +5

   ArticleComputational Drug Discovery MethodsQSAR & Combinatorial Science20061 citations

   ABIABI:AkademIndex/openalex/2026.other.352428

3. A Quantitative Structure–Activity Relationship Study of the Anabolic Activity of Ecdysteroids

   Durbek Usmanov, Ugiloy Yusufovna Yusupova, В. Н. Сыров +2

   ArticleComputational Drug Discovery MethodsComputation20251 citations

   ABIABI:AkademIndex/openalex/2026.other.448335

4. In silico Discovery of Novel Tyrosinase Inhibitors using Atom Based Linear Indices

   Gerardo M. Casañola‐Martín, Yovani Marrero‐Ponce, Mahmud Khan +3

   ArticleComputational Drug Discovery Methods20060 citations

   ABIABI:AkademIndex/openalex/2006.article.000419

5. Prediction of Tyrosinase Inhibition Activity Using Atom‐Based Bilinear Indices

   Yovani Marrero‐Ponce, Mahmud Tareq Hassan Khan, Gerardo M. Casañola‐Martín +4

   ArticleComputational Drug Discovery MethodsChemMedChem20070 citations

   ABIABI:AkademIndex/openalex/2007.article.000037

6. Bond-based 2D TOMOCOMD-CARDD approach for drug discovery: aiding decision-making in ‘in silico’ selection of new lead tyrosinase inhibitors

   Yovani Marrero‐Ponce, Mahmud Tareq Hassan Khan, Gerardo M. Casañola‐Martín +5

   ArticleComputational Drug Discovery MethodsJournal of Computer-Aided Molecular Design20070 citations

   ABIABI:AkademIndex/openalex/2007.article.000064

7. Stability Constant and Potentiometric Sensitivity of Heavy Metal–Organic Fluorescent Compound Complexes: QSPR Models for Prediction and Design of Novel Coumarin-like Ligands

   Phan Thi Diem-Tran, Tue-Tam Ho, Nguyen-Van Tuan +10

   ArticleComputational Drug Discovery MethodsToxics20230 citations

   ABIABI:AkademIndex/openalex/2023.article.000955

8. A Quantitative Structure - Permittivity Relationship Study of a Series of Polymers

   Yevhenii Zhuravskyi, Kweeni Iduoku, Meade Erickson +7

   PreprintPolymer crystallization and propertiesChemRxiv20230 citations

   ABIABI:AkademIndex/openalex/2023.preprint.000129

9. Quantitative Structure─Permittivity Relationship Study of a Series of Polymers

   Yevhenii Zhuravskyi, Kweeni Iduoku, Meade Erickson +8

   ArticleDielectric materials and actuatorsACS Materials Au20240 citations

   ABIABI:AkademIndex/openalex/2024.article.000250

10. Similarity Analysis of Computer-Generated and Commercial Libraries for Targeted Biocompatible Coded Amino Acid Replacement

    Markus Meringer, Gerardo M. Casañola‐Martín, Bakhtiyor Rasulev +1

    ArticleChemical Synthesis and AnalysisInternational Journal of Molecular Sciences20240 citations

    ABIABI:AkademIndex/openalex/2024.article.008974