Editorial
Accepted on 23 Apr 2024
Editorial: Recent Trends in Anti-cancer Drug Discovery by in Silico Methods
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2024.1420267
- Frontiers in Drug Discovery
- In silico Methods and Artificial Intelligence for Drug Discovery
- Articles
Type at least 3 characters
32 articles
Articles
Review
Published on 05 Apr 2024
Integrative computational approaches for discovery and evaluation of lead compound for drug design
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2024.1362456
- 473 views
Original Research
Published on 04 Apr 2024
Application of machine learning to predict unbound drug bioavailability in the brain
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2024.1360732
- 412 views
Mini Review
Published on 05 Mar 2024
Applying artificial intelligence to accelerate and de-risk antibody discovery
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2024.1339697
- 818 views
Editorial
Published on 21 Feb 2024
Editorial: Use of computational tools for designing epigenetic drugs
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2024.1381450
- 547 views
Review
Published on 08 Feb 2024
Machine learning in toxicological sciences: opportunities for assessing drug toxicity
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2024.1336025
- 1,186 views
Original Research
Published on 05 Feb 2024
Rapid screening of chemicals for their potential to cause specific toxidromes
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2024.1324564
- 536 views
Mini Review
Published on 02 Feb 2024
Deep generative models in the quest for anticancer drugs: ways forward
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2024.1362956
- 624 views
Original Research
Published on 11 Dec 2023
Consensus docking aid to model the activity of an inhibitor of DNA methyltransferase 1 inspired by de novo design
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2023.1261094
- 1,667 views
- 2 citations
Review
Published on 18 Sep 2023
State-of-the-art strategies to prioritize Mycobacterium tuberculosis drug targets for drug discovery using a subtractive genomics approach
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2023.1254656
- 1,081 views
Review
Published on 25 Jul 2023
The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2023.1237655
- 1,182 views
- 1 citation
Review
Published on 21 Jun 2023
Yin-yang in drug discovery: rethinking de novo design and development of predictive models
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2023.1222655
- 3,056 views
- 2 citations
Original Research
Published on 20 Jan 2023
In silico identification of potential inhibitors of acyl carrier protein reductase and acetyl CoA carboxylase of Plasmodium falciparum in antimalarial therapy
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2023.1087008
- 1,903 views
- 3 citations
Brief Research Report
Published on 09 Jan 2023
Determination of nucleoside DOT1L inhibitors’ residence times by τRAMD simulations
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2022.1083198
- 1,192 views
- 1 citation
Editorial
Published on 05 Jan 2023
Editorial: Insights in silico methods and artificial intelligence for drug discovery: 2022
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2022.1126955
- 1,360 views
- 1 citation
Original Research
Published on 23 Dec 2022
Discovery of novel spike/ACE2 inhibitory macrocycles using in silico reinforcement learning
in In silico Methods and Artificial Intelligence for Drug Discovery
Frontiers in Drug Discovery
doi 10.3389/fddsv.2022.1085701
- 915 views
- 2 citations