Search

Categories

Analytical Chemistry

(1)

Biological and Medicinal Chemistry

(2)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(2)

Last 3 years

(1)

Keywords

Fragment

Authors

3 results in Keywords: Fragment

Theoretical and Computational Chemistry

Fast, Efficient Fragment-Based Coordinate Generation for Open Babel

Naruki Yoshikawa, Geoffrey Hutchison

Version 2 posted 15 July 2019

1,781

Downloads

Analytical Chemistry

Fragment-based Sequential Translation for Molecular Optimization

Benson Chen, Xiang Fu, Regina Barzilay, Tommi Jaakkola

Version 2 posted 13 October 2021

612

Downloads

Biological and Medicinal Chemistry

Evaluating the use of absolute binding free energy in the fragment optimization process.

Irfan Alibay, Aniket Magarkar, Daniel Seeliger, Philip Biggin

Version 3 posted 02 February 2022

2,035

Downloads