Search

Categories

Biological and Medicinal Chemistry

(1)

Organic Chemistry

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Review

(1)

Working Paper

(3)

Published Date

Last 3 years

(4)

Last 12 months

(3)

Last 6 months

(2)

Last 3 months

(1)

Keywords

Chemical Libraries

Authors

4 results in Keywords: Chemical Libraries

Biological and Medicinal Chemistry

Design and Diversity Analysis of Chemical Libraries in Drug Discovery

Dionisio A. Olmedo, Armando A. Durant-Archibold, José Luis López-Pérez, Jose L. Medina-Franco

Version 1 posted 13 March 2023

1,411

Downloads

Organic Chemistry

Predicting Three-Component Reaction Outcomes from 40k Miniaturized Reactant Combinations

Julian Götz, Euan Richards, Iain Stepek, Yu Takahashi, Yi-Lin Huang, Louis Bertschi, Bertran Rubi, Jeffrey Bode

Version 1 posted 13 May 2024

1,413

Downloads

Theoretical and Computational Chemistry

Dedenser: a Python command line tool for clustering and downsampling chemical libraries

Armen G. Beck, Jonathan Fine, Yu-hong Lam, Edward C. Sherer, Erik L. Regalado, Pankaj Aggarwal

Version 1 posted 21 October 2024

218

Downloads

Theoretical and Computational Chemistry

From High Dimensions to Human Comprehension: Exploring Dimensionality Reduction for Chemical Space Visualization

Alexey Orlov, Tagir Akhmetshin, Dragos Horvath, Gilles Marcou, Alexandre Varnek

Version 1 posted 16 August 2024

294

Downloads