Unlock the power of collaboration and AI-driven insights with our cutting-edge software for chemical molecule management, predicting properties with precision and transforming teamwork into breakthrough discoveries.
Why MolBook PRO?
Do you need……
- a software for managing database of chemical compounds?
- to share your database with team members?
- to filter the chemical database based on particular properties or structural features?
- to predict ADME and toxicity properties based on artificial intelligence models?
If your answer is YES, probably MolBook PRO is the software for you!
Discover the key features of our software in action! Watch this video to see how it can transform your workflow and boost your productivity.
Key Features and Capabilities:
- Import molecules by using excel, csv, sdf file
- Import molecules by using CAS number
- Add molecules by drawing them
- Export molecules as sdf, csv, excel, word file
- Filter your database based on properties or structural features
- Easily edit your dataset
- chemical properties calculator (H-bond donor, H-bond acceptor, TPSA, rotatable bonds, heavy atoms, chemical formula, molecular weight
- Protonation state evaluator
- PAINS calculator
- Drug-likeness (RO5)
- Lead-likeness (RO3)
- Attach files to molecules
- Activate a grid view and align molecules for a SAR analysis
- Search for commercial availability of your molecules
- Download all compounds tested against a protein target
- Share your database and activate an access management system
- Create plots from your data
- AI-based ADME predictions (blood brain barrier permeability, human intestinal absorption, binding to serum albumin, aqueous solubility)
- AI-based toxicity prediction (hepatotoxicity, androgenicity, eye irritation, carcinogenicity, mutagenicity, skin irritation, estrogenicity, acute oral toxicity)
If you are interest contact us to request a free demo version of MolBook PRO!!
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