Introduction

In an era where in silico techniques play increasingly significant roles in the discovery of novel drugs, the need to rapidly generate virtual libraries of chemical compounds is also gaining importance. While the main focus in generating these libraries combinatorially is to maximize the likelihood of uncovering promising leads, assessing these molecules for their drug-like properties is equally crucial. To this end, we have developed CLEVER (chemical library editing, visualizing and enumerating resource) as a platform-independent tool that not only enumerates chemical libraries using customized fragments, but also computes the physicochemical properties of the generated compounds along with filtering functionalities for evaluating their drug-likeness. CLEVER is apt for visualizing the generated chemical compounds in 3D space, as well as charting various graphs based on the innate properties of the chemical libraries. In essence, CLEVER was conceived as a handy companion to structural biologists for designing virtual chemical libraries.

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