Ramón Alain Miranda-Quintana

According to our database, Ramón Alain Miranda-Quintana authored at least 18 papers between 2021 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

Scaling <i>k</i> -Means for Multi-Million Frames: A Stratified NANI Approach for Large-Scale MD Simulations.

Jherome Brylle Woody Santos, Lexin Chen, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2026

Divide and Cluster: The DIVINE Framework for Deterministic Top-Down Analysis of Molecular Dynamics Trajectories.

Jherome Brylle Woody Santos, Lexin Chen, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2026

<tt>Selector</tt> : A General Python Library for Diverse Subset Selection.

Fanwang Meng, Marco Martínez González, Valerii Chuiko, Alireza Tehrani, Abdul Rahman Al Nabulsi, Abigail Broscius, Hasan Khaleel, Kenneth López Pérez, Ramón Alain Miranda-Quintana, Paul W. Ayers, Farnaz Heidar-Zadeh

J. Chem. Inf. Model., 2026

2025

iSIM-Sigma: Efficient Standard Deviation Calculation for Molecular Similarity.

Kenneth López Pérez, Bill Zhao, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2025

iCliff Taylor's Version: Robust and Efficient Activity Cliff Determination.

Kenneth López Pérez, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2025

Growth vs Diversity: A Time-Evolution Analysis of the Chemical Space.

Kenneth López Pérez, Edgar López-López, Flavie Soulage, Eloy Felix, José L. Medina-Franco, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2025

BitBIRCH Clustering Refinement Strategies.

Kenneth López Pérez, Kate Huddleston, Vicky Jung, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2025

Extended Quality (eQual): Radial Threshold Clustering Based on <i>n</i>-ary Similarity.

Lexin Chen, Micah Smith, Daniel R. Roe, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2025

Hierarchical Extended Linkage Method (HELM)'s Deep Dive into Hybrid Clustering Strategies.

Lexin Chen, Jherome Brylle Woody Santos, Jokent T. Gaza, Alberto Pérez, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2025

CADENCE: Clustering Algorithm─Density-Based Exploration and Novelty Clustering with Efficiency.

Lexin Chen, Daniel R. Roe, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2025

SHINE: Deterministic Many-to-Many Clustering of Molecular Pathways.

Lexin Chen, Jeremy M. G. Leung, Krisztina Zsigmond, Lillian T. Chong, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2025

2023

Fanpy: A python library for prototyping multideterminant methods in <i>ab initio</i> quantum chemistry.

Taewon David Kim, Michael Richer, Gabriela Sánchez-Díaz, Ramón Alain Miranda-Quintana, Toon Verstraelen, Farnaz Heidar-Zadeh, Paul W. Ayers

J. Comput. Chem., February, 2023

2022

Molecular Dynamics Simulations and Diversity Selection by Extended Continuous Similarity Indices.

Anita Rácz, Levente M. Mihalovits, Dávid Bajusz, Károly Héberger, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2022

Diversity and Chemical Library Networks of Large Data Sets.

Timothy B. Dunn, Gustavo de M. Seabra, Taewon David Kim, K. Eurídice Juárez-Mercado, Chenglong Li, José L. Medina-Franco, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2022

Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing 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-González, Norberto Sánchez-Cruz, Marilia Valli

J. Cheminformatics, 2022

Extended continuous similarity indices: theory and application for QSAR descriptor selection.

Anita Rácz, Timothy B. Dunn, Dávid Bajusz, Taewon David Kim, Ramón Alain Miranda-Quintana, Károly Héberger

J. Comput. Aided Mol. Des., 2022

2021

Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 2: speed, consistency, diversity selection.

Ramón Alain Miranda-Quintana, Anita Rácz, Dávid Bajusz, Károly Héberger

J. Cheminformatics, 2021

Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 1: Theory and characteristics^†.

Ramón Alain Miranda-Quintana, Dávid Bajusz, Anita Rácz, Károly Héberger

J. Cheminformatics, 2021