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Analytical Chemistry

(1)

Theoretical and Computational Chemistry

(4)

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(4)

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Andrew Dalke

4 results in Authors: Andrew Dalke

Theoretical and Computational Chemistry

The chemfp Project

Version 2 posted 05 June 2019

1,633

Downloads

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

1,411

Downloads

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

8,222

Downloads

91

Citations

Theoretical and Computational Chemistry

RISC and Dense Fingerprints

Version 1 posted 04 June 2019

805

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1

Citations