The role of chemoinformatics in the design of a comprehensive drug ...

More documents

Recommendations

Info

Databases of Known Pharmaceutical Ligands and Drugs Structure MDDR-3D 2001.1 (23.01) Extreg 185987 Pref# Preview Phase 185987 Act.invest Launched Index Activity 28000 Cardiotonic 31000 Antihypertensive 31432 Angiotensin II AT1 Antagonist Model Structure O Identification O N O Biology N N Lit & Patent Chiral N N Source Novartis Company.code CGP-48933 CGP-63170 (comb. with Generic name Valsartan < Rec INN; USAN > Trademark Valpression (Menarini, IT) Provas (Schwarz, DE) Varexan (Egis, HU) Di (N ti CA DE | Obernai| 20.06.10 | Edgar Jacoby
Knowledge Based Approaches : GPCR I MDL Patent Database Activity Based Search 38 Patent Families 1810 Reference Structures Similarity Search Naïve Bayes Model 542 SOLAR in silico hits | Obernai| 20.06.10 | Edgar Jacoby
Page 1 and 2: The Role of Chemoinformatics in the
Page 3 and 4: Essential Properties of Compounds |
Page 5 and 6: Externally Available Chemistry Spac
Page 7 and 8: Substructure/Fragment Filters Defin
Page 9 and 10: Cheminformatics Platform for Select
Page 11 and 12: Evaluation Scheme for Combinatorial
Page 13 and 14: Monitoring of Compound Collections
Page 15 and 16: The “Egan Egg”: Statistical Pro
Page 17 and 18: Examples of Unwanted Molecules Chem
Page 19 and 20: Safety Pharmacology Prediction | Ob
Page 21 and 22: Focusing : Optimizing the Overlap B
Page 23: Molecular Information System for Ph
Page 27 and 28: Design of TAM Libraries for Monoami
Page 29 and 30: Ligand selectivity in a subfamily w
Page 31 and 32: A general strategy for creating “
Page 33 and 34: Extend Knowledge-based Approaches
Page 35 and 36: Privileged structures GPCRs The 2-a
Page 37 and 38: Ligands vs. domains and folds that
Page 39 and 40: Knowledge-Based Virtual Screening -
Page 41 and 42: Pharmacophore Screening - MDM4/2 Cl
Page 43 and 44: Comparing HTS and Virtual Screening
Page 45 and 46: Chemoinformatics: Quo vadis Towards
Page 47 and 48: Chemoinformatics: Quo vadis Chemica
Page 49: Recent Publications | Obernai| 20.0

The role of chemoinformatics in the design of a comprehensive drug ...

Create successful ePaper yourself

Delete template?

Save as template?