Sublinear ligand-based virtual screening using bitmap indices

Ligand-based Virtual screening using Fuzzy Correlation Coefficient

Selection and identification of a subset of compounds from libraries or databases, which are likely to possess a desired biological activity is the main target of ligand-based virtual screening approaches. The main challenge of such approaches is achieving of high recall of active molecules. In this paper we presented fuzzy correlation coefficients (FCC), which is used as a similarity coefficie...

Bulkloading of Bitmap Indices

The conventional indexing technique designed for the traditional database systems does not use the read-only characteristics of the data warehouse environment. Recently, Bitmap Indexing has been proposed as a candidate indexing structure suitable for the read-only environments, like those of decision support systems. The current paper presents a short literature survey of the various clone of t...

Bitmap Indices for Data Warehouses

In this chapter we discuss various bitmap index technologies for efficient query processing in data warehousing applications. We review the existing literature and organize the technology into three categories, namely bitmap encoding, compression and binning. We introduce an efficient bitmap compression algorithm and examine the space and time complexity of the compressed bitmap index on large ...

Evaluation Strategies for Bitmap Indices with Binning

3D Ligand-Based Virtual Screening with Support Vector Machines

Computational models play an important role in early-stage drug discovery, in particular for lead identification and optimization. Starting from a list of molecules with experimentally determined binding affinity to a particular therapeutic target, as typically obtained by high-throughput screening (HTS), the goal of lead optimization is to find additional molecules with good binding affinity. ...