Search

3 results in Keywords: chemical database

ChemSpaX: Exploration of Chemical Space by Automated Functionalization of Molecular Scaffold

Adarsh Kalikadien, Evgeny A. Pidko, Vivek Sinha

Version 3 posted 01 December 2021

1,126

Downloads

Earth, Space, and Environmental Chemistry

Per- and polyfluoroalkyl substances (PFAS) in PubChem: 7 million and growing

Emma Schymanski, Jian Zhang, Paul Thiessen, Parviel Chirsir, Todor Kondic, Evan Bolton

Version 1 posted 22 June 2023

571

Downloads

Theoretical and Computational Chemistry

KNIME Workflows for Chemoinformatic Characterization of Chemical Databases

Carlos D. Ramírez-Márquez, José L. Medina-Franco

Version 1 posted 05 November 2024

205

Downloads