Search

Categories

Catalysis

(1)

Organic Chemistry

(2)

Theoretical and Computational Chemistry

(1)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Last 12 months

(1)

Last 6 months

(1)

Keywords

Authors

N. Ian Rinehart

2 results in Authors: N. Ian Rinehart

Development and Validation of a Chemoinformatic Workflow for Predicting Reaction Yield for Pd-Catalyzed C-N Couplings with Substrate Generalizability

N. Ian Rinehart, Rakesh K. Saunthwal, Joël Wellauer, Andrew F. Zahrt, Lukas Schlemper, Alexander S. Shved, Raphael Bigler, Serena Fantasia, Scott E. Denmark

Version 2 posted 13 February 2023

2,221

Downloads

1

Citations

Theoretical and Computational Chemistry

molli: A General-Purpose Python Toolkit for Combinatorial Small Molecule Library Generation, Manipulation, and Feature Extraction.

Alexander S. Shved, Blake E. Ocampo, Elena S. Burlova, Casey L. Olen, N. Ian Rinehart, Scott E. Denmark

Version 2 posted 12 August 2024

923

Downloads