Various software programs available for computer aided drug discovery

Computer-aided drug discovery has been around for decades, although the past few years have seen a tectonic shift towards embracing computational technologies in both academia and pharma. This shift is largely defined by the flood of data on ligand properties and binding to therapeutic targets and their 3D structures, abundant computing capacities and the advent of on-demand virtual libraries of drug-like small molecules in their billions. Taking full advantage of these resources requires fast computational methods for effective ligand screening. This includes structure-based virtual screening of gigascale chemical spaces, further facilitated by fast iterative screening approaches. Highly synergistic are developments in deep learning predictions of ligand properties and target activities in lieu of receptor structure. Here we review recent advances in ligand discovery technologies, their potential for reshaping the whole process of drug discovery and development, as well as the challenges they encounter. We also discuss how the rapid identification of highly diverse, potent, target-selective and drug-like ligands to protein targets can democratize the drug discovery process, presenting new opportunities for the cost-effective development of safer and more effective small-molecule treatments. Despite amazing progress in basic life sciences and biotechnology, drug discovery and development (DDD) remain slow and expensive, taking on average approximately 15 years and approxim...

• Healthcare 55 • Drug Discovery 55 • Clinical Trial Management 2 • Healthcare AI 7 • Healthcare Analytics 1 • Lab Inventory Management 2 • Life Sciences 6 • LIMS 5 • Medical Imaging 1 • Medical Lab 3 • • Molecular Modeling 5 • Pathology 2 • Pharmaceutical and Biotech 1 • Pharmacy 1 • Engineering 5 • Vertical Market 4 • Data Management 2 • Manufacturing 2 • Operations Management 2 • Business Intelligence 1 • Compliance 1 • Government 1 • IT Management 1 What is Drug Discovery Software? Drug discovery software enables pharmaceutical companies and clinical researchers to discover and develop new drugs, and study the efficacy that potential new drugs have regarding treatment outcomes. Drug discovery tools can offer features including AI, simulation, predictive analytics, and more. Compare the best Drug Discovery software currently available using the table below. • 1 Labwise XD is an all-inclusive Digital Laboratory system including LIMS, ELN, QMS, and DMS. Labwise XD drives lab workflows, instills consistency, improves data quality, and supports regulatory compliance with a complete laboratory management solution that connects with your operating systems with powerful laboratory information management and analytics. Labwise XD creates optimized workflows for the unique business needs of all regulated laboratories including research, diagnostics, quality control, stability studies, and more. ArgusLab is a molecular modeling, graphics, and drug design program for Windows opera...