Search

Categories

Biological and Medicinal Chemistry

(1)

Theoretical and Computational Chemistry

(5)

Content Types

Review

(1)

Working Paper

(4)

Published Date

Last 3 years

(5)

Last 12 months

(5)

Last 6 months

(4)

Last 3 months

(1)

Keywords

Authors

Kenneth Lopez-Perez

5 results in Authors: Kenneth Lopez-Perez

Theoretical and Computational Chemistry

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

249

Downloads

Theoretical and Computational Chemistry

Sampling Chemical Space: Activity Cliffs, Extended Similarity, and ML Performance

Kenneth Lopez-Perez, Ramon Miranda-Quintana

Version 1 posted 17 January 2024

333

Downloads

Theoretical and Computational Chemistry

iSIM: Instant Similarity

Kenneth Lopez Perez, Taewon Kim, Ramon Miranda-Quintana

Version 1 posted 17 November 2023

892

Downloads

Theoretical and Computational Chemistry

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

96

Downloads

Theoretical and Computational Chemistry

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

746

Downloads