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)

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 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)

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; et al. (J. Cheminformatics, 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)

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)

Fanpy: A python library for prototyping multideterminant methods in ab initio 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., 2023)

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)

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)

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)

Extended Quality (eQual): Radial Threshold Clustering Based on n-ary Similarity. - Lexin Chen; Micah Smith; Daniel R. Roe; 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)

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)

iCliff Taylor's Version: Robust and Efficient Activity Cliff Determination. - Kenneth López Pérez; Ramón Alain Miranda-Quintana (J. Chem. Inf. Model., 2025)

iSIM-Sigma: Efficient Standard Deviation Calculation for Molecular Similarity. - Kenneth López Pérez; Bill Zhao; Ramón Alain Miranda-Quintana (J. Chem. Inf. Model., 2025)