AIDDISON™ AI Drug Discovery
BREAKTHROUGHS IN IN-SILICO DRUG DISCOVERY BEGIN HERE
AIDDISON™ drug discovery software combines the power of artificial intelligence (AI), machine learning (ML), and computer-aided drug design (CADD) methods to act as a valuable toolkit for medicinal chemistry needs. As a unified platform for efficient and effective ligand-based and structure-based drug design, it integrates all the facets for virtual screening and supports methods for lead discovery and lead optimization.
BENEFITS OF AIDDISON™ IN DRUG DISCOVERY
- Fully-integrated software: One platform hosts all in-silico drug discovery tools for seamless data flow. No need to switch between tools and re-format data.
- Machine-learning models: Implemented for the first time, models are trained on proprietary and proven experimental assay data from pharma with the ultimate flexibility to further train on additional proprietary datasets.
- Generative modeling: The platform facilitates de novo small molecule design with desired ‘drug-like’ properties.
- Cloud-native system: Secure, scalable, on-demand cloud services support complex computations for reliable results faster.
- Highest security standards: ISO 27001 certification ensures secure end-to-end data flow.
- Easy to use: Versatile and intuitive tool accelerates drug discovery.
- Time saving & cost-efficient: In-silico screening provides faster and more effective decision making from molecule design to chemical synthesis.
REAL-TIME OPTIMIZATION OF DRUG CANDIDATE SCREENING WITH AIDDISON™ SOFTWARE
Explore unbound chemical space using AI-based generative chemistry model with built-in synthesizability evaluation.
The generative model empowers you to:
- Generate drug-like molecules and improve the diversity of search output based on AI model
- Optimize synthesis accessibility score based on SYNTHIA™ retrosynthesis software
Discover billions of virtual molecules of interest with 2D structural and pharmacophore similarity methods. Powered by FTrees, BiosolveIT.
This feature enables you to:
- Explore ultra-large, commercial, and proprietary chemical spaces using chemical structure similarity match and pharmacophore search
- Automatically calculate physicochemical and ML-based ADME predictions
Align 3D molecule structures to a reference ligand to identify the closest matching drug candidates with shape search. Powered by Flare™, Cresset.
Filter, sort, and cluster to extract the optimal subset of molecules based on:
- Multi-parameter optimization of ‘drug-like’ properties
- Dimensionality reduction and graphical inter-property correlation
Confirm molecule interaction of hundreds of desired drug candidates with the active site of the protein for best protein-ligand binding. Powered by Flare™, Cresset.
Finalize the set of drug candidates based on:
- 3D molecule alignment
- 3D property evaluation using shape-based alignment and protein-ligand interactions
User Testimonials
"AIDDISON™ is an integrated and easy-to-use tool for lead identification that brings together a suite of tools for modeling, docking and scoring molecules.”
-SVP, Drug Discovery,
Emerging Biotech
"With various prediction, docking, and analysis tools, this software will enable you to speed up drug discovery.”
-Head of Chemistry,
Pharmaceutical
"AIDDISON™ combines data analytics with the ability to search several virtual databases to efficiently do hit expansion while incorporating preliminary molecular modeling to provide structural insights.”
-Drug Discovery Medicinal Chemist,
Emerging Biotech
"A one-stop-shop for medicinal chemists interested in molecular modeling and large chemical space exploration.”
-Medicinal Chemist,
Emerging Biotech
FIND THE RIGHT MOLECULE WITH AIDDISON™ DRUG DISCOVERY SOFTWARE
Experience how the AIDDISON™ AI-platform can provide the inspiration and innovation to drive your drug discovery efforts faster and cheaper.
Contact Our Team to Learn More
Related Product Resources
- White Paper: Using AI-Powered Software to Accelerate and Optimize Novel Drug Design
AIDDISON™ uses a scientific approach to first generate thousands of viable candidate molecules as the starting point in an analysis.
- Flyer: AIDDISON™ AI Powered Drug Discovery
AIDDISON™ combines the power of artificial intelligence (AI) and computer-aided drug design (CADD) tools into a single integrated platform for virtual screening, scaffold hopping, hit identification, and lead optimization in medicinal chemistry.
Related Webinars
In this webinar, discover how the latest update of AIDDISON™ software, newly enhanced with GOSTAR® robust databases, empowers medicinal chemists to revolutionize their workflows.
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