Digital Discovery

[thompson]

The journal publishes research related to chemical, materials, biochemical, biomedical, or biophysical sciences and specific topics include:

Artificial intelligence and other high throughput computational methodologies for molecular, materials and formulation design:
Computer-assisted retrosynthesis
Generative models for scientific design
Machine learning classification and regression models
Quantum algorithms for quantum simulation and data science as applied to molecular and materials discovery
Modern molecular, materials, and biological representations
Molecular, Materials and Chemo- and Bio-informatics
Methods for Bayesian optimization and design of experiments
Advances and applications of interpretable models
Image recognition
Natural language processing
Literature mining tools

Advanced data workflows:
Databases
Data provenance tools
Computational workflow engines
Experimental control software
Ontologies for science
Advances in robotics for science

Novel experimental automation:
New robotic setups
New automated sensors and analytical workflows
Novel synthetic methodologies and workflows that enable higher throughput
High-throughput computational science
Studies where large families of electronic structure or molecular simulations are analyzed for use in experimental and automated applications

Papers at the interface of chemistry and other sciences that involve the following topics:
Directed or accelerated evolution
DNA Encoded Library Technology or novel chemical library technologies
Cryptochemistry
Blockchain-enabled science

Papers that will not be considered are in the areas of low-throughput structural or mechanistic studies using computational chemistry, QM/MM studies of biochemical mechanisms at low throughput, traditional analysis of molecular dynamics trajectory simulations to understand biological conformations, reports or comparisons of electronic structure methods that do not involve machine learning, interpretations of chemical bonding models, and quantum dynamics and spectroscopy simulations at low throughput.

Publisher: Royal Society of Chemistry

ISSN: 2653-098X

[thompson]

2025, Vol.4, issue 1-4

https://www.mediafire.com/file/clata6ed ... 4.zip/file

[thompson]

2022, Vol.1, issue 1-6

https://www.mediafire.com/file/fllw41dh ... 1.zip/file

[Выбегалло]

2022, Vol.1, issue 1-6

https://www.mediafire.com/file/fllw41dh ... 1.zip/file

Thanks thompson!

Unfold and comment

ren_vol_1.bat.txt

LOST

413-426.pdf

[Выбегалло]

2025, Vol.4, issue 1-4

https://www.mediafire.com/file/clata6ed ... 4.zip/file

Thanks thompson!

Unfold and comment

ren_vol_4_iss_1-4.bat.txt

0762-0777.pdf ---> 03 0762-0775.pdf

no LOST/BAD

[thompson]

2023, Vol.2, issue 1-6

https://www.mediafire.com/file/x20icx6c ... 2.zip/file

[thompson]

2024, Vol.3, issue 1-12

https://www.mediafire.com/file/whm96k1s ... 3.zip/file

[Выбегалло]

2023, Vol.2, issue 1-6

https://www.mediafire.com/file/x20icx6c ... 2.zip/file

Thanks thompson!

Unfold and comment

ren_vol_2.bat.txt

0087-0895.pdf ---> 0887-0895_GA.pdf

no LOST/BAD

[Выбегалло]

2024, Vol.3, issue 1-12

https://www.mediafire.com/file/whm96k1s ... 3.zip/file

Thanks thompson!

Unfold and comment

ren_vol_3.bat.txt

no LOST/BAD

[top_bot]

Supplements
s2022 v.01.7z s2023 v.02.7z

Код: Выделить всё

https://dropmefiles.com/c3LOV

s2024 v.03.7z s2025 v.04 i1-4.7z

Код: Выделить всё

https://dropmefiles.com/XI7zN

[Выбегалло]

Supplements
s2022 v.01.7z s2023 v.02.7z

Код: Выделить всё

https://dropmefiles.com/c3LOV

s2024 v.03.7z s2025 v.04 i1-4.7z

Код: Выделить всё

https://dropmefiles.com/XI7zN

Thanks top_bot!