These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
7. Ligand-based approaches to activity prediction for the early stage of structure-activity-relationship progression. Maeda I; Sato A; Tamura S; Miyao T J Comput Aided Mol Des; 2022 Mar; 36(3):237-252. PubMed ID: 35348984 [TBL] [Abstract][Full Text] [Related]
8. How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space. Koutsoukas A; Paricharak S; Galloway WR; Spring DR; Ijzerman AP; Glen RC; Marcus D; Bender A J Chem Inf Model; 2014 Jan; 54(1):230-42. PubMed ID: 24289493 [TBL] [Abstract][Full Text] [Related]
9. Classification of Aurora B kinase inhibitors using computational models. Liu R; Nie X; Zhong M; Hou X; Xuan S; Yan A Comb Chem High Throughput Screen; 2014 Feb; 17(2):114-23. PubMed ID: 24152178 [TBL] [Abstract][Full Text] [Related]
11. Integrated support vector machine and pharmacophore based virtual screening driven identification of thiophene carboxamide scaffold containing compound as potential PARP1 inhibitor. Singh M; Rajawat J; Kuldeep J; Shukla N; Mishra DP; Siddiqi MI J Biomol Struct Dyn; 2022 Nov; 40(18):8494-8507. PubMed ID: 33950778 [TBL] [Abstract][Full Text] [Related]
12. Identification of novel CDK2 inhibitors by a multistage virtual screening method based on SVM, pharmacophore and docking model. Liang JW; Wang MY; Wang S; Li SL; Li WQ; Meng FH J Enzyme Inhib Med Chem; 2020 Dec; 35(1):235-244. PubMed ID: 31760818 [TBL] [Abstract][Full Text] [Related]
13. Applying ligands profiling using multiple extended electron distribution based field templates and feature trees similarity searching in the discovery of new generation of urea-based antineoplastic kinase inhibitors. Dokla EM; Mahmoud AH; Elsayed MS; El-Khatib AH; Linscheid MW; Abouzid KA PLoS One; 2012; 7(11):e49284. PubMed ID: 23185312 [TBL] [Abstract][Full Text] [Related]
14. Scaffold hopping for identification of novel PKCβII inhibitors based on ligand and structural approaches, virtual screening and molecular dynamics study. Grewal BK; Sobhia ME Comb Chem High Throughput Screen; 2014 Jan; 17(1):2-11. PubMed ID: 24050690 [TBL] [Abstract][Full Text] [Related]
15. Assessment of scaffold hopping efficiency by use of molecular interaction fingerprints. Venhorst J; Núñez S; Terpstra JW; Kruse CG J Med Chem; 2008 Jun; 51(11):3222-9. PubMed ID: 18447336 [TBL] [Abstract][Full Text] [Related]
16. Discovering the Active Ingredients of Medicine and Food Homologous Substances for Inhibiting the Cyclooxygenase-2 Metabolic Pathway by Machine Learning Algorithms. Tian Y; Zhang Z; Yan A Molecules; 2023 Sep; 28(19):. PubMed ID: 37836625 [TBL] [Abstract][Full Text] [Related]
17. Evaluating the predictivity of virtual screening for ABL kinase inhibitors to hinder drug resistance. Gani OA; Narayanan D; Engh RA Chem Biol Drug Des; 2013 Nov; 82(5):506-19. PubMed ID: 23746052 [TBL] [Abstract][Full Text] [Related]
18. Classification of 5-HT(1A) receptor ligands on the basis of their binding affinities by using PSO-Adaboost-SVM. Cheng Z; Zhang Y; Zhou C; Zhang W; Gao S Int J Mol Sci; 2009 Jul; 10(8):3316-3337. PubMed ID: 20111683 [TBL] [Abstract][Full Text] [Related]
19. Scaffold-focused virtual screening: prospective application to the discovery of TTK inhibitors. Langdon SR; Westwood IM; van Montfort RL; Brown N; Blagg J J Chem Inf Model; 2013 May; 53(5):1100-12. PubMed ID: 23672464 [TBL] [Abstract][Full Text] [Related]
20. Application of support vector machine to three-dimensional shape-based virtual screening using comprehensive three-dimensional molecular shape overlay with known inhibitors. Sato T; Yuki H; Takaya D; Sasaki S; Tanaka A; Honma T J Chem Inf Model; 2012 Apr; 52(4):1015-26. PubMed ID: 22424085 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]