Search

Categories

Analytical Chemistry

(1)

Theoretical and Computational Chemistry

(4)

Content Types

Working Paper

(4)

Published Date

Over 3 years

(4)

Keywords

Authors

Andrew Dalke

4 results in Authors: Andrew Dalke

Theoretical and Computational Chemistry

DeepSMILES: An Adaptation of SMILES for Use in Machine-Learning of Chemical Structures

Noel O'Boyle, Andrew Dalke

Version 1 posted 19 September 2018

7,301

Downloads

74

Citations

Analytical Chemistry

mmpdb: An Open Source Matched Molecular Pair Platform for Large Multi-Property Datasets

Andrew Dalke, Jerome Hert, Christian Kramer

Version 1 posted 19 March 2018

1,304

Downloads

Theoretical and Computational Chemistry

The chemfp Project

Version 2 posted 05 June 2019

1,595

Downloads

Theoretical and Computational Chemistry

RISC and Dense Fingerprints

Version 1 posted 04 June 2019

756

Downloads

1

Citations