Search results for "biological target finder"

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DRUDIT: Web-based DRUgs DIscovery Tools to design small molecules as modulators of biological targets

2019

Abstract Motivation New in silico tools to predict biological affinities for input structures are presented. The tools are implemented in the DRUDIT (DRUgs DIscovery Tools) web service. The DRUDIT biological finder module is based on molecular descriptors that are calculated by the MOLDESTO (MOLecular DEScriptors TOol) software module developed by the same authors, which is able to calculate more than one thousand molecular descriptors. At this stage, DRUDIT includes 250 biological targets, but new external targets can be added. This feature extends the application scope of DRUDIT to several fields. Moreover, two more functions are implemented: the multi- and on/off-target tasks. These tool…

Statistics and ProbabilityService (systems architecture)PolypharmacologyComputer scienceIn silicoMachine learningcomputer.software_genre01 natural sciencesBiochemistrybiological target finderdrug discoveryMolecular descriptors03 medical and health sciencesMolecular descriptorSettore BIO/10 - BiochimicaWeb applicationComputer SimulationPolypharmacologyMolecular Biology030304 developmental biologySettore ING-INF/05 - Sistemi Di Elaborazione Delle InformazioniInternet0303 health sciencesbusiness.industrySmall moleculeSettore CHIM/08 - Chimica Farmaceutica0104 chemical sciencesComputer Science Applications010404 medicinal & biomolecular chemistryComputational MathematicsComputational Theory and MathematicsBiological targetThe InternetArtificial intelligencebusinesscomputerSoftware
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