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

Year Number of Results
1948 2
1950 1
1951 8
1952 9
1953 3
1954 14
1955 5
1956 11
1957 13
1958 24
1959 7
1960 3
1961 5
1962 9
1963 8
1964 18
1965 21
1966 10
1967 13
1968 18
1969 22
1970 33
1971 30
1972 53
1973 85
1974 158
1975 275
1976 286
1977 304
1978 357
1979 409
1980 390
1981 380
1982 454
1983 510
1984 618
1985 673
1986 759
1987 813
1988 998
1989 1295
1990 1624
1991 1991
1992 2669
1993 2996
1994 3507
1995 3875
1996 4325
1997 4630
1998 5312
1999 5773
2000 6381
2001 7063
2002 7871
2003 8829
2004 9746
2005 10775
2006 11856
2007 13391
2008 14405
2009 14674
2010 15302
2011 16519
2012 17279
2013 18613
2014 19520
2015 20118
2016 20887
2017 22041
2018 22493
2019 23660
2020 26723
2021 26682
2022 23084
2023 22075
2024 26443
2025 32953
2026 29719
2027 89

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480,575 results

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Page 1
Computer-Aided Drug Discovery and Design: Recent Advances and Future Prospects.
Talevi A. Talevi A. Methods Mol Biol. 2024;2714:1-20. doi: 10.1007/978-1-0716-3441-7_1. Methods Mol Biol. 2024. PMID: 37676590 Review.
Computer-aided drug discovery and design involve the use of information technologies to identify and develop, on a rational ground, chemical compounds that align a set of desired physicochemical and biological properties. In its most common form, it involves the ide …
Computer-aided drug discovery and design involve the use of information technologies to identify and develop, on a rational gr …
Pharmacophore modeling in drug design.
Momin Y, Beloshe V. Momin Y, et al. Adv Pharmacol. 2025;103:313-324. doi: 10.1016/bs.apha.2025.01.010. Epub 2025 Feb 6. Adv Pharmacol. 2025. PMID: 40175047 Review.
A successful and expanded area of computational drug design is pharmacophore modeling. A pharmacophore is a description of the structural features of a compound that are essential to its biological activity. ...Moreover, to enhance virtual screening, pharmacophores, …
A successful and expanded area of computational drug design is pharmacophore modeling. A pharmacophore is a description of the …
Drug Design-Past, Present, Future.
Doytchinova I. Doytchinova I. Molecules. 2022 Feb 23;27(5):1496. doi: 10.3390/molecules27051496. Molecules. 2022. PMID: 35268598 Free PMC article. Review.
Drug design is a complex pharmaceutical science with a long history. Many achievements have been made in the field of drug design since the end of 19th century, when Emil Fisher suggested that the drug-receptor interaction resembles the key and …
Drug design is a complex pharmaceutical science with a long history. Many achievements have been made in the field of drug …
Application of Computational Biology and Artificial Intelligence in Drug Design.
Zhang Y, Luo M, Wu P, Wu S, Lee TY, Bai C. Zhang Y, et al. Int J Mol Sci. 2022 Nov 5;23(21):13568. doi: 10.3390/ijms232113568. Int J Mol Sci. 2022. PMID: 36362355 Free PMC article. Review.
Traditional drug design requires a great amount of research time and developmental expense. Booming computational approaches, including computational biology, computer-aided drug design, and artificial intelligence, have the potential to expedite the e …
Traditional drug design requires a great amount of research time and developmental expense. Booming computational approaches, …
Drug design of tyrosinase inhibitors.
Melfi F, Carradori S, Granese A, Osmanović A, Campestre C. Melfi F, et al. Enzymes. 2024;56:111-134. doi: 10.1016/bs.enz.2024.06.001. Epub 2024 Jun 25. Enzymes. 2024. PMID: 39304285 Review.
This chapter will gather the recent advances about synthetic tyrosinase inhibitors from the MedChem perspective, providing new suggestions for the scaffold-based design of innovative compounds....
This chapter will gather the recent advances about synthetic tyrosinase inhibitors from the MedChem perspective, providing new suggestions f …
Artificial intelligence in multi-objective drug design.
Luukkonen S, van den Maagdenberg HW, Emmerich MTM, van Westen GJP. Luukkonen S, et al. Curr Opin Struct Biol. 2023 Apr;79:102537. doi: 10.1016/j.sbi.2023.102537. Epub 2023 Feb 10. Curr Opin Struct Biol. 2023. PMID: 36774727 Free article. Review.
The factors determining a drug's success are manifold, making de novo drug design an inherently multi-objective optimisation (MOO) problem. ...Besides these and conditional learning, various innovative approaches to tackle MOO in drug design hav …
The factors determining a drug's success are manifold, making de novo drug design an inherently multi-objective optimis …
In silico drug design strategies for discovering novel tuberculosis therapeutics.
Canales CSC, Pavan AR, Dos Santos JL, Pavan FR. Canales CSC, et al. Expert Opin Drug Discov. 2024 Apr;19(4):471-491. doi: 10.1080/17460441.2024.2319042. Epub 2024 Feb 19. Expert Opin Drug Discov. 2024. PMID: 38374606 Review.
Discovering new drugs is a protracted and expensive endeavor, often spanning over a decade and incurring costs in the billions. However, computer-aided drug design (CADD) has surfaced as a nimbler and more cost-effective alternative. CADD tools enable us to decipher …
Discovering new drugs is a protracted and expensive endeavor, often spanning over a decade and incurring costs in the billions. However, com …
Target-based drug design strategies to overcome resistance to antiviral agents: opportunities and challenges.
Du S, Hu X, Menéndez-Arias L, Zhan P, Liu X. Du S, et al. Drug Resist Updat. 2024 Mar;73:101053. doi: 10.1016/j.drup.2024.101053. Epub 2024 Jan 26. Drug Resist Updat. 2024. PMID: 38301487 Review.
Drug design computational tools facilitate the discovery of novel drugs. This review provides a comprehensive overview of current drug design strategies employed in the field of antiviral drug resistance, illustrated through the description of a …
Drug design computational tools facilitate the discovery of novel drugs. This review provides a comprehensive overview of curr …
Computational anti-COVID-19 drug design: progress and challenges.
Wang J, Zhang Y, Nie W, Luo Y, Deng L. Wang J, et al. Brief Bioinform. 2022 Jan 17;23(1):bbab484. doi: 10.1093/bib/bbab484. Brief Bioinform. 2022. PMID: 34850817 Free PMC article. Review.
Hence, the development of robust therapeutic approaches, such as anti-COVID-19 drug design, could aid in managing the pandemic more efficiently. Some drug design strategies have been successfully applied during the COVID-19 pandemic to create and valid …
Hence, the development of robust therapeutic approaches, such as anti-COVID-19 drug design, could aid in managing the pandemic …
Computer-Aided Drug Design towards New Psychotropic and Neurological Drugs.
Dorahy G, Chen JZ, Balle T. Dorahy G, et al. Molecules. 2023 Jan 30;28(3):1324. doi: 10.3390/molecules28031324. Molecules. 2023. PMID: 36770990 Free PMC article. Review.
This is complicated by the high failure rate in late-stage clinical trials, resulting in exorbitant costs associated with bringing new CNS drugs to market. Computer-aided drug design (CADD) techniques minimise the time and cost burdens associated with drug re …
This is complicated by the high failure rate in late-stage clinical trials, resulting in exorbitant costs associated with bringing new CNS d …
480,575 results
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