106 related articles for article (PubMed ID: 19243168)
41. Canonical Measure of Correlation (CMC) and Canonical Measure of Distance (CMD) between sets of data. Part 1. Theory and simple chemometric applications.
Todeschini R; Ballabio D; Consonni V; Manganaro A; Mauri A
Anal Chim Acta; 2009 Aug; 648(1):45-51. PubMed ID: 19616688
[TBL] [Abstract][Full Text] [Related]
42. ErG: 2D pharmacophore descriptions for scaffold hopping.
Stiefl N; Watson IA; Baumann K; Zaliani A
J Chem Inf Model; 2006; 46(1):208-20. PubMed ID: 16426057
[TBL] [Abstract][Full Text] [Related]
43. SHED: Shannon entropy descriptors from topological feature distributions.
Gregori-Puigjané E; Mestres J
J Chem Inf Model; 2006; 46(4):1615-22. PubMed ID: 16859293
[TBL] [Abstract][Full Text] [Related]
44. Feature-map vectors: a new class of informative descriptors for computational drug discovery.
Landrum GA; Penzotti JE; Putta S
J Comput Aided Mol Des; 2006 Dec; 20(12):751-62. PubMed ID: 17205374
[TBL] [Abstract][Full Text] [Related]
45. Development and validation of a novel protein-ligand fingerprint to mine chemogenomic space: application to G protein-coupled receptors and their ligands.
Weill N; Rognan D
J Chem Inf Model; 2009 Apr; 49(4):1049-62. PubMed ID: 19301874
[TBL] [Abstract][Full Text] [Related]
46. Quantum Isostere Database: a web-based tool using quantum chemical topology to predict bioisosteric replacements for drug design.
Devereux M; Popelier PL; McLay IM
J Chem Inf Model; 2009 Jun; 49(6):1497-513. PubMed ID: 19453153
[TBL] [Abstract][Full Text] [Related]
47. Predictive models of Cannabinoid-1 receptor antagonists derived from diverse classes.
Kang NS; Lee GN; Yoo SE
Bioorg Med Chem Lett; 2009 Jun; 19(11):2990-6. PubMed ID: 19406638
[TBL] [Abstract][Full Text] [Related]
48. Assignment of EC numbers to enzymatic reactions with MOLMAP reaction descriptors and random forests.
Latino DA; Aires-de-Sousa J
J Chem Inf Model; 2009 Jul; 49(7):1839-46. PubMed ID: 19588957
[TBL] [Abstract][Full Text] [Related]
49. Novel method for generating structure-based pharmacophores using energetic analysis.
Salam NK; Nuti R; Sherman W
J Chem Inf Model; 2009 Oct; 49(10):2356-68. PubMed ID: 19761201
[TBL] [Abstract][Full Text] [Related]
50. Quantitative structure-activity relationship modeling of the toxicity of organothiophosphate pesticides to Daphnia magna and Cyprinus carpio.
Zvinavashe E; Du T; Griff T; van den Berg HH; Soffers AE; Vervoort J; Murk AJ; Rietjens IM
Chemosphere; 2009 Jun; 75(11):1531-8. PubMed ID: 19376559
[TBL] [Abstract][Full Text] [Related]
51. On entropy-based molecular descriptors: statistical analysis of real and synthetic chemical structures.
Dehmer M; Varmuza K; Borgert S; Emmert-Streib F
J Chem Inf Model; 2009 Jul; 49(7):1655-63. PubMed ID: 19530677
[TBL] [Abstract][Full Text] [Related]
52. Combining interface core and whole interface descriptors in postscan processing of protein-protein docking models.
Kowalsman N; Eisenstein M
Proteins; 2009 Nov; 77(2):297-318. PubMed ID: 19452551
[TBL] [Abstract][Full Text] [Related]
53. How similar are those molecules after all? Use two descriptors and you will have three different answers.
Bender A
Expert Opin Drug Discov; 2010 Dec; 5(12):1141-51. PubMed ID: 22822717
[TBL] [Abstract][Full Text] [Related]
54. Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening.
Gladysz R; Dos Santos FM; Langenaeker W; Thijs G; Augustyns K; De Winter H
J Cheminform; 2018 Mar; 10(1):9. PubMed ID: 29516311
[TBL] [Abstract][Full Text] [Related]
55. Filtering and counting of extended connectivity fingerprint features maximizes compound recall and the structural diversity of hits.
Hu Y; Lounkine E; Bajorath J
Chem Biol Drug Des; 2009 Jul; 74(1):92-8. PubMed ID: 19519749
[TBL] [Abstract][Full Text] [Related]
56. A QSAR study on relationship between structure of sulfonamides and their carbonic anhydrase inhibitory activity using the eigenvalue (EVA) method.
Oltulu O; Yaşar MM; Eroğlu E
Eur J Med Chem; 2009 Sep; 44(9):3439-44. PubMed ID: 19303173
[TBL] [Abstract][Full Text] [Related]
57. Enrichment of True Positives from Structural Alerts Through the Use of Novel Atomic Fragment Based Descriptors.
Long A; Rydberg P
Mol Inform; 2013 Jan; 32(1):81-6. PubMed ID: 27481025
[TBL] [Abstract][Full Text] [Related]
58. Predicting the multi-modal binding propensity of small molecules: towards an understanding of drug promiscuity.
Park K; Lee S; Ahn HS; Kim D
Mol Biosyst; 2009 Aug; 5(8):844-53. PubMed ID: 19603120
[TBL] [Abstract][Full Text] [Related]
59. Mining and visualizing the chemical content of large databases.
Villar HO; Hansen MR
Curr Opin Drug Discov Devel; 2009 May; 12(3):367-75. PubMed ID: 19396738
[TBL] [Abstract][Full Text] [Related]
60. Introducing new reactivity descriptors: "Bond reactivity indices." Comparison of the new definitions and atomic reactivity indices.
Sánchez-Márquez J
J Chem Phys; 2016 Nov; 145(19):194105. PubMed ID: 27875867
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
