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Molecular Similarity: Theory, Applications, and Perspectives

Kenneth Lopez Perez, Juan Avellaneda Tamayo, Lexin Chen, Edgar Lopez Lopez, K. Euridice Juarez Mercado, Jose Luis Medina Franco, Ramon Miranda-Quintana

Version 1 posted 24 November 2023

1,295

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Theoretical and Computational Chemistry

Working Paper

Alternative weighting schemes for fine-tuned extended similarity index calculations

Kenneth Lopez Perez, Anita Racz, David Bajusz, Camila Gonzalez, Karoly Heberger, Ramon Miranda-Quintana

Version 1 posted 05 February 2024

211

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Theoretical and Computational Chemistry

Working Paper

Sampling and Mapping Chemical Space with Extended Similarity Indices

Kenneth Lopez Perez, Edgar Lopez Lopez, Jose Luis Medina Franco, Ramon Miranda-Quintana

Version 1 posted 26 July 2023

363

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Theoretical and Computational Chemistry

Working Paper

iSIM: Instant Similarity

Kenneth Lopez Perez, Taewon Kim, Ramon Miranda-Quintana

Version 1 posted 17 November 2023

1,230

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Hildebrand Solubility Parameters Revisited - Cohesive Energy or Electrophilicity Densities?

Ramon Alain Miranda-Quintana, Lexin Chen, Jens Smiatek

Version 1 posted 02 May 2023

371

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Biological and Medicinal Chemistry

Working Paper

Chemoinformatic Characterization of Synthetic Screening Libraries Focused on Epigenetic Targets

E. Alexis Flores-Padilla, K. Eurídice Juárez-Mercado, José J. Naveja, Taewon D. Kim, Ramón Alain Miranda-Quintana, José L. Medina-Franco

Version 1 posted 23 September 2021

541

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Theoretical and Computational Chemistry

Working Paper

Can we predict ambident regioselectivity using the chemical hardness?

Ramon Miranda-Quintana, Alberto Vela, Frank De Proft, Jose L Gazquez

Version 1 posted 27 February 2023

288

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Theoretical and Computational Chemistry

Working Paper

Exploring activity landscapes with extended similarity: is Tanimoto enough?

Timothy Dunn, Edgar Lopez-Lopez, Taewon Kim, Jose Luis Medina Franco, Ramon Miranda-Quintana

Version 1 posted 25 January 2023

651

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Theoretical and Computational Chemistry

Working Paper

Molecular dynamics simulations and diversity selection by extended continuous similarity indices

Anita Rácz, Levente Mihalovits, Dávid Bajusz, Károly Héberger, Ramon Miranda-Quintana

Version 1 posted 01 April 2022

274

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Theoretical and Computational Chemistry

Review

Chemoinformatics and Artificial Intelligence Colloquium: Progress and Challenges to Develop Bioactive Compounds

Jürgen Bajorath, Ana L. Chávez-Hernández, Miquel Duran-Frigola, Eli Fernández-de Gortari, Johann Gasteiger, Edgar López-López, Gerald M. Maggiora, José L. Medina-Franco, Oscar Méndez-Lucio, Jordi Mestres, Ramón Alain Miranda-Quintana, Tudor I. Oprea, Fabien Plisson, Fernando D. Prieto-Martínez, Raquel Rodríguez-Pérez, Paola Rondón-Villarreal, Fernanda I. Saldívar-Gonzalez, Norberto Sánchez-Cruz, Marilia Valli

Version 2 posted 09 August 2022

998

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Refine Search

13 results in Ramon Miranda-Quintana in Authors: Ramon Miranda-Quintana

Molecular Similarity: Theory, Applications, and Perspectives

Alternative weighting schemes for fine-tuned extended similarity index calculations

Sampling and Mapping Chemical Space with Extended Similarity Indices

iSIM: Instant Similarity

Hildebrand Solubility Parameters Revisited - Cohesive Energy or Electrophilicity Densities?

Chemoinformatic Characterization of Synthetic Screening Libraries Focused on Epigenetic Targets

Can we predict ambident regioselectivity using the chemical hardness?

Exploring activity landscapes with extended similarity: is Tanimoto enough?

Molecular dynamics simulations and diversity selection by extended continuous similarity indices

Chemoinformatics and Artificial Intelligence Colloquium: Progress and Challenges to Develop Bioactive Compounds

13 results in Authors: Ramon Miranda-Quintana