Page 108 - AJWEP-v22i3
P. 108
Sonsare, et al.
Machine-Learning Model to Partition Soil Organic 38. Vora LK, Gholap AD, Jetha K, Thakur RRS, Solanki HK,
Carbon into its Centennially Stable and Active Fractions Chavda VP. Artificial intelligence in pharmaceutical
Based on Rock-Eval(r) Thermal Analysis. Germany: technology and drug delivery design. Pharmaceutics.
European Geosciences Union; 2025. 2023;15(7):1916.
doi: 10.5194/egusphere-egu24-11107 doi: 10.3390/pharmaceutics15071916
28. Torralba-Sanchez TL, Di Toro DM, Dmitrenko O, 39. Han R, Yoon H, Kim G, Lee H, Lee Y. Revolutionizing
Murillo-Gelvez J, Tratnyek PG. Modeling the partitioning medicinal chemistry: The application of artificial
of anionic carboxylic and perfluoroalkyl carboxylic and intelligence (AI) in early drug discovery. Pharmaceuticals
sulfonic acids to octanol and membrane lipid. Environ (Basel). 2023;16(9):1259.
Toxicol Chem. 2023;42(11):2317-2328. doi: 10.3390/ph16091259
doi: 10.1002/etc.5716 40. Environment news futures. Asian J Water Environ Pollut.
29. Khawar MI, Mahmood A, Nabi D. Exploring the role 2024;21(5):95-98.
of octanol-water partition coefficient and Henry’s law doi: 10.3233/AJW240064
constant in predicting the lipid-water partition coefficients 41. Lallawmzuali G, Devi AS, Liana T, Hriatsaka V, Singh
of organic chemicals. Sci Rep. 2022;12(1):14936. AP, Lalhriatpuia C. Assessment of the heavy metal
doi: 10.1038/s41598-022-19452-6 contaminations of roadside soil in Aizawl, Mizoram
30. Patel C, Roy D. Octanol-water partition coefficients of (India): An in-depth analysis utilising advanced
fluorinated drug molecules with continuum solvation scientific methodologies. Asian J Water Environ Pollut.
models. J Phys Chem A. 2022;126(26):4185-4190. 2024;21(5):37-47.
doi: 10.1021/acs.jpca.2c02172 doi: 10.3233/AJW240058
31. Baskaran S, Podagatlapalli A, Sangion A, Wania F. 42. Kaur I, Gulati A, Lamba PS, Jain A, Taneja H, Syal JS.
Predicting the temperature dependence of the octanol-air Water quality assessment using machine learning:
partition ratio: A new model for estimating $$\delta {U^{ \ A focus on coliform prediction in water. Asian J Water
circ}_{\text{OA}}}$$. J Solut Chem. 2023;52(1):51-69. Environ Pollut. 2024;21(5):19-26.
doi: 10.1007/s10953-022-01214-7 doi: 10.3233/AJW240056
32. Singh B, Crasto M, Ravi K, Singh S. Pharmaceutical 43. Xu L, Dong Z, Fang L, et al. OrthoVenn2: A web
advances: Integrating artificial intelligence in QSAR, server for whole-genome comparison and annotation
combinatorial and green chemistry practices. Intell of orthologous clusters across multiple species. Nucleic
Pharm. 2024;2:598-608. Acids Res. 2019;47(W1):W52-W58.
doi: 10.1016/j.ipha.2024.05.005 doi: 10.1093/nar/gkz333
33. Arab M, Faramarz MG, Hashim K. Applications of 44. Huerta-Cepas J, Szklarczyk D, Heller D, et al.
computational and statistical models for optimizing the EggNOG 5.0: A hierarchical, functionally and
electrochemical removal of cephalexin antibiotic from phylogenetically annotated orthology resource based on
water. Water (Switzerland). 2022;14(3):344. 5090 organisms and 2502 viruses. Nucleic Acids Res.
doi: 10.3390/w14030344 2019;47(D1):D309-D314.
34. Ågerstrand M, Berg C, Björlenius B, et al. Improving doi: 10.1093/nar/gky1085
environmental risk assessment of human pharmaceuticals. 45. Altenhoff AM, Vesztrocy AW, Bernard C, et al. OMA
Environ Sci Technol. 2015;49(9):5336-5345. orthology in 2024: Improved prokaryote coverage,
doi: 10.1021/acs.est.5b00302 ancestral and extant GO enrichment, a revamped synteny
35. Soares TA, Nunes-Alves A, Mazzolari A, Ruggiu F, viewer and more in the OMA ecosystem. Nucleic Acids
Wei GW, Merz K. The (Re)-evolution of quantitative Res. 2024;52(D1):D513-D521.
structure-activity relationship (QSAR) studies propelled doi: 10.1093/nar/gkad1020
by the surge of machine learning methods. J Chem Inf 46. Zdobnov EM, Kuznetsov D, Tegenfeldt F, Manni M,
Model. 2022;62(22):5317-5320. Berkeley M, Kriventseva EV. OrthoDB in 2020:
doi: 10.1021/acs.jcim.2c01422 Evolutionary and functional annotations of orthologs.
36. Shen X, Wang R, Xiong X, et al. Metabolic reaction Nucleic Acids Res. 2021;49(D1):D389-D393.
network-based recursive metabolite annotation doi: 10.1093/nar/gkaa1009
for untargeted metabolomics. Nat Commun. 47. Neves BJ, Braga RC, Melo-Filho CC, Moreira-Filho JT,
2019;10(1):1516. Muratov EN, Andrade CH. QSAR-based virtual
doi: 10.1038/s41467-019-09550-x screening: Advances and applications in drug discovery.
37. Luo Y, Zhao X, Zhou J, et al. A network integration Front Pharmacol. 2018;9:1275.
approach for drug-target interaction prediction and doi: 10.3389/fphar.2018.01275
computational drug repositioning from heterogeneous 48. Dintakurthy Y, Krishna Innmuri R, Vanteru A,
information. Nat Commun. 2017;8(1):573. ThotakurixA. Emerging Applications of Artificial
doi: 10.1038/s41467-017-00680-8 Intelligence in Edge Computing: A Comprehensive
Volume 22 Issue 3 (2025) 102 doi: 10.36922/AJWEP025070041