References
- Simoens S, Huys I. R&D costs of new medicines: a landscape analysis. Front Med. 2021;8:760762. doi: 10.3389/fmed.2021.760762
- Bassani D, Moro S. Past, present, and future perspectives on computer-aided drug design Methodologies. Molecules. 2023;28(9):3906. doi: 10.3390/molecules28093906
- Sadybekov AV, Katritch V. Computational approaches streamlining drug discovery. Nature. 2023;616(7958):673–685.
- Martinez-Mayorga K, Rosas-Jiménez JG, Gonzalez-Ponce K, et al. The pursuit of accurate predictive models of the bioactivity of small molecules. Chem Sci. 2024;1(6):1938–1952. doi: 10.1039/D3SC05534E
- Niazi SK, Mariam Z. Computer-aided drug design and drug discovery: a prospective analysis. Pharmaceuticals. 2023;17(1):22. doi: 10.3390/ph17010022
- Sabe VT, Ntombela T, Jhamba LA, et al. Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: a review. Eur J Med Chem. 2021;224:113705. doi: 10.1016/j.ejmech.2021.113705
- Medina-Franco JL. Grand challenges of computer-aided drug design: the road ahead. Front Drug Discov. 2021;1:728581. doi: 10.3389/fddsv.2021.728551
- Azad I, Khan T, Ahmad N, et al. Updates on drug designing approach through computational strategies: a review. Future Sci OA. 2023;9(5):FSO862. doi: 10.2144/fsoa-2022-0085
- Chang Y, Hawkins BA, Du JJ, et al. A guide to in silico drug design. Pharmaceutics. 2022;15(1):49. doi: 10.3390/pharmaceutics15010049
- Niazi SK. The coming of age of AI/ML in drug discovery, development, clinical testing, and manufacturing: the FDA perspectives. Drug Des Devel Ther. 2023;17:2691–2725. doi: 10.2147/DDDT.S424991
- Gesmundo N, Dykstra K, Douthwaite JL, et al. Miniaturization of popular reactions from the medicinal chemists’ toolbox for ultrahigh-throughput experimentation. Nat Synth. 2023;2(11):1082–1091. doi: 10.1038/s44160-023-00351-1
- López-López E, Fernández-de Gortari E, Medina-Franco JL. Yes SIR! On the structure–inactivity relationships in drug discovery. Drug Discovery Today. 2022;27(8):2353–2362.
- Gao L, Shaabani S, Reyes Romero A, et al. “Chemistry at the speed of sound”: automated 1536-well nanoscale synthesis of 16 scaffolds in parallel. Green Chem. 2023;25:1380–1394. doi: 10.1039/D2GC04312B
- Blunt NS, Camps J, Crawford O, et al. Perspective on the current state-of-the-art of quantum computing for drug discovery applications. J Chem Theory Comput. 2022;18(12):7001–7023. doi: 10.1021/acs.jctc.2c00574
- Cova T, Vitorino C, Ferreira M, et al. Artificial intelligence and quantum computing as the next pharma disruptors. Methods Mol Biol. 2022;2390:321–347.