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CalTooL - Caltrone BioSofT Private Limited has developed a Computer Aided Drug Designing Tool called as CaLTooL

CalTooL incorporates a 3D molecule viewer with enhanced features to view the protein molecules in the form of strands, ball and stick model, spacefiller model, backbone model, ribbons etc.

It has the options to view the predicted active sites of the protein molecule using the tool - PoLoC.

The ligand building tool called as DeLigner enables the user to develop drug molecules.

The DeLigner takes the input in the form of a protein as a pdb file and the maps the active site in the protein as input by the user. Then it generates the interaction sites within the active site in order to start the building up of the pharmacophore models which in turns help in generating the ligand molecules considering all the user assigned parameters as well as the constraints which are provided by a fitness function incorporated in a genetic algorithm. This helps to avoid the chance of a combinatorial explosion thus improvising the process of drug discovery in silico.

CalP is the tool embedded in the CalTooL. CalP is a method which can calculate the logP value for an organic compound from its topological structure. The algorithm is based on the summation of atomic contributions and correction factors

Note: - Bioactivity Predictor, 3D substructure search and Toxicity Predicting models are under development