Why software harmony matters in drug discovery
In drug discovery, your software needs to work together as well as your team does — think of it as the dream team. No single tool can tackle everything alone, and wrestling with incompatible programs isn’t why you got into science, right?
That’s where StarDrop comes in. StarDrop is like the Swiss Army knife of drug discovery. It handles data analysis, visualization, SAR, de novo design, ligand-based and structure-based design, metabolism prediction… you name it. But StarDrop doesn’t think it’s the only star of the show.
StarDrop — A Swiss Army knife for drug discovery
It’s designed to fit right in with the other tools you already rely on. Technically speaking, if a tool has an API, our developers can integrate it with StarDrop. But we’ve gone a step further. We’ve built in tons of popular drug discovery software integrations to save you the hassle.
For example, if you store your data in .csv or .sdf formats, that’s a breeze. StarDrop readily connects to your data (and our Director of Implementation, Chris, has written a few words about exactly how our data integration works). For those using CDD Vault database, StarDrop has a built-in plugin. It lets you pull in your data in just a few clicks, at no extra cost. Simple, right?
If you need public data, StarDrop can also fetch information from ChEMBL and PubChem. Just hit ‘search’ and let it do the heavy lifting.
Or maybe you need to kick-start a project with commercial databases? StarDrop has you covered there too. It connects natively with Enamine, MolPort, eMolecules, and others. For high-throughput virtual screening, we’ve even pre-built libraries of conformers for our eSim3D module — just download and go, right from your laptop.
Once you’ve got a list of promising hits, you might want to double-check if anyone else already had your brilliant idea. With our Google Patent plugin, you can check patents with just a click. This can save you a ton of scrolling.
Let’s say you’ve found your star compound and are ready to make it in the lab. With our integration to PostEra’s Manifold platform, you can run retrosynthetic analysis right in StarDrop. That way, it’s easy to see if synthesis is a walk in the park — or a climb up Everest.
The ultimate team player in drug discovery
In the end, StarDrop doesn’t want to be your only tool—it just wants to be the best team player. From pre-set integrations to custom projects and QSAR models, StarDrop is all about helping you make the most of your data and the setup you already have.
We’re here so you can spend less time wrestling with software and more time moving science forward.
Integrations available in StarDrop
Read on to discover just a few of the drug discovery software integrations that StarDrop supports. Something you need missing from the list? Contact us to see if the integration is already available, or discuss custom integrations.
| AtlasCBS | AtlasCBS is a compound management system. It organises, tracks, and facilitates the collaborative management of chemical libraries and associated data. |
| CDD Vault Access | CDD Vault is a collaborative data management platform for securely organising, analysing, and sharing biological and chemical research data. |
| ChEMBL | ChEMBL is a freely accessible database of bioactive molecules with drug-like properties, supporting drug discovery research. |
| Chemical identifier resolver | Chemical Identifier Resolver is a tool for converting, resolving, and validating chemical identifiers like SMILES, InChI, and CAS numbers. |
| eMolecules | eMolecules is a comprehensive database and marketplace for sourcing and purchasing research chemicals and building blocks. |
| Enamine | Enamine is a global supplier of chemical building blocks, screening compounds, and custom synthesis services for drug discovery and research. |
| GalaXi® search tool | GalaXi® is a software tool for visualising and exploring large chemical spaces, enabling efficient compound selection and library design. |
| Google Patent and Google Scholar | Google Patent is a search engine for patents and applications, while Google Scholar indexes scholarly articles and research papers. |
| ICSYNTH light | ICSYNTH Light is a chemical synthesis planning tool that helps design synthetic routes for molecules using AI-based algorithms. |
| Manifold | Manifold is a machine learning platform for drug discovery, focusing on optimising molecular properties and predicting biological activities. |
| Mcule | Mcule is a platform that provides access to a vast chemical compound database for drug discovery. It offers tools for virtual screening and molecular design. |
| MolPort | MolPort is a chemical compound sourcing platform. It provides access to a global database of chemicals for drug discovery, enabling easy procurement and virtual screening. |
| REAL Space search tool | REAL Space Search Tool is a software that enables chemical space exploration. By visualising and analysing molecular data, researchers can identify promising compounds. |
| ScienceCloud | ScienceCloud is a cloud-based platform that provides tools and resources for scientific research It offers computational power and data storage for tasks like drug discovery and molecular simulations. |
| SpotRM | SpotRM is a machine learning-based platform. It helps predict and identify reactive metabolites in drug discovery, aiding in the assessment of drug safety and toxicity. |
About the author
Patrik Nikolić, MSc
Patrik is a medicinal chemist with a strong background in drug discovery, dedicated to streamlining workflows and advancing innovative therapies. At Optibrium, he serves as Scientific Strategy Partner, driving initiatives that empower researchers.
He holds a Master’s in Medicinal and Pharmaceutical Chemistry and a Bachelor’s in Biotechnology and Drug Research from the University of Rijeka, graduating summa cum laude with expertise in in silico design, enzyme assays, and biomolecular studies.
Want to see how StarDrop can integrate in your software stack?
Simply complete the form to get a demo to suit your specific needs. If you’d like to find out more about the StarDrop evaluation process read our step-by-step guide.
Keen to find what factors will impact the cost of StarDrop?
Our CCO, James Halle, talks about key considerations when budgeting for drug discovery software.