(Q47770444)

5 February 2018

title

Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction (English)

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5 February 2018

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5

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5 February 2018

Tommi S. Jaakkola

series ordinal

4

object named as

Tommi S Jaakkola

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5 February 2018

1

Connor W Coley

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5 February 2018

Regina Barzilay

series ordinal

2

object named as

Regina Barzilay

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5 February 2018

author name string

William H Green

series ordinal

3

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5 February 2018

publication date

11 July 2017

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5 February 2018

Journal of Chemical Information and Modeling

published in

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5 February 2018

volume

57

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5 February 2018

issue

8

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5 February 2018

page(s)

1757-1772

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5 February 2018

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

cites work

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https://opencitations.net/index/coci/api/v1/citations/10.1021/CI025584Y

Reliable estimation of prediction errors for QSAR models under model uncertainty using double cross-validation

20 December 2021

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https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-014-0047-1

The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS

2 January 2022

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https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-016-0113-Y

QSAR modeling: where have you been? Where are you going to?

3 January 2022

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https://opencitations.net/index/coci/api/v1/citations/10.1021/JM4004285

Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks

19 March 2022

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/ACSCENTSCI.7B00512

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1 reference

28 May 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

Universal Approach for Structural Interpretation of QSAR/QSPR Models.

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1002/MINF.201300029

Best Practices for QSAR Model Development, Validation, and Exploitation

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1002/MINF.201000061

Deep Learning in Drug Discovery.

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1002/MINF.201501008

Graph Kernels for Molecular Similarity

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1002/MINF.200900080

8 April 2023

Identifiers

DOI

10.1021/ACS.JCIM.6B00601

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5 February 2018

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5 February 2018