Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My Custom Filters

Results by year

Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2008 2
2010 24
2011 31
2012 29
2013 52
2014 41
2015 37
2016 36
2017 31
2018 38
2019 40
2020 74
2021 82
2022 42
2023 35
2024 129
2025 60

Publication date

Text availability

Article attribute

Article type

Additional filters

Article Language

Species

Sex

Age

Other

Search Results

783 results

Results by year

Filters applied: . Clear all
Page 1
Virtual Screening Meets Deep Learning.
Pérez-Sianes J, Pérez-Sánchez H, Díaz F. Pérez-Sianes J, et al. Curr Comput Aided Drug Des. 2019;15(1):6-28. doi: 10.2174/1573409914666181018141602. Curr Comput Aided Drug Des. 2019. PMID: 30338743 Review.
Molecular Diversity Assessment using Chemotypes.
Villar HO, Mandayan R, Hansen MR. Villar HO, et al. Curr Comput Aided Drug Des. 2022;18(1):1-8. doi: 10.2174/1573409917666210203092432. Curr Comput Aided Drug Des. 2022. PMID: 33535959
On molecular graph comparison.
Melo JA, Daza E. Melo JA, et al. Curr Comput Aided Drug Des. 2011 Jun;7(2):83-9. doi: 10.2174/157340911795677594. Curr Comput Aided Drug Des. 2011. PMID: 21534925 Review.
Proton Hopping in Living Systems.
Kier LB. Kier LB. Curr Comput Aided Drug Des. 2021;17(3):333-336. doi: 10.2174/1573409916666200324140221. Curr Comput Aided Drug Des. 2021. PMID: 32208123 Review.
783 results