.png){kind=icon}
.png){kind=icon}
Return
Assessment of a Cambridge Structural Database-Driven Overlay Program
.png){kind=icon}
PRE
AI
DOI：10.1021/ci500509y.png)
.png){kind=icon}
Original request for help.png){kind=icon}
Share.png){kind=icon}
Save
Abstract
En 中文
We recently published an improved methodology for overlaying multiple flexible ligands and an extensive data set for validating pharmacophore programs. Here, we combine these two developments and present evidence of the effectiveness of the new overlay methodology at predicting correct superimpositions for systems with varying levels of complexity. The overlay program was able to generate correct predictions for 95%, 73%, and 39% of systems classified as easy, moderate, and hard, respectively.
Keywords:
PHARMACOPHORE ELUCIDATION
CRYSTAL-STRUCTURES
VALIDATION
ALGORITHM
MOLECULES
SET
AI Summary
Key information extracted from the uploaded paper, including a brief overview, abstract, background, key highlights, visual analysis, and future outlook.
Journal
IF:
5.3
Papers:
9.1K
Citations:
4.0W