AiZynthTrain: Robust, Reproducible, and Extensible Pipelines for Training Synthesis Prediction Models-Reference-Cited by-同舟云学术

AiZynthTrain: Robust, Reproducible, and Extensible Pipelines for Training Synthesis Prediction Models

Published:2023-03-24 Issue:7 Volume:63 Page:1841-1846
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Genheden Samuel¹^ORCID,Norrby Per-Ola²^ORCID,Engkvist Ola¹^ORCID

Affiliation:

1. Molecular AI, Discovery Sciences, R&D, AstraZeneca Gothenburg, SE-431 83 Mölndal, Sweden

2. Data Science and Modelling, Pharmaceutical Sciences, R&D, AstraZeneca Gothenburg, SE-431 83 Mölndal, Sweden

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01486

Reference28 articles.

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4. The Open Reaction Database

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