BioSolveIT
BioSolveIT GmbH is a German cheminformatics software company (founded 2001) that builds Chemical Space Docking® and related tools (SeeSAR, infiniSee, FTrees, SpaceLight) to screen trillion-sized combinatorial compound collections for pharmaceutical and academic drug-discovery customers.
- Company typePrivate
- Founded2001
- HeadquartersSankt Augustin, Germany
- Headcount11–50
- GTM typeB2B
- OfferingSoftware
What BioSolveIT does
BioSolveIT GmbH is a German cheminformatics software company founded in 2001 and headquartered in Sankt Augustin, Germany, with a US affiliate (BioSolveIT Inc.) and distribution partners in the United Kingdom, India, Japan, and China. The company develops computational drug-discovery software built on a combinatorial chemistry approach that enables the screening of trillion-sized compound collections without brute-force enumeration — a methodology trademarked as Chemical Space Docking® and protected by a stack of proprietary algorithms including FTrees (fuzzy pharmacophore similarity), SpaceLight (fingerprint similarity, developed with University of Hamburg ZBH), SpaceMACS (maximum common substructure search), HYDE (visual scoring), and FlexX (protein-ligand docking).
The product portfolio is organized into flagship GUI platforms — SeeSAR (visual drug-design dashboard, now at version 15 'Apollo'), infiniSee (Chemical Space navigation platform combining Scaffold Hopper, Analog Hunter, and Motif Matcher modes), infiniSee xREAL (access point to Enamine's compound catalog), HPSee (high-performance computing workflow environment), and Chemical Space Docking — plus a suite of command-line components (HYDE, FlexX, FlexS, FastGrow, Conformator, FTrees, SpaceLight, SpaceMACS, CoLibri, FlexLM license server). CoLibri allows large pharma customers to construct their own in-house Chemical Spaces from proprietary building blocks and SMIRKS reactions, embedding BioSolveIT's search algorithms into enterprise workflows. The company's Chemical Space assets, accessed via partnerships with Enamine (~95 billion compounds in REAL Space), eMolecules/Synple (8.3+ trillion products in the merged eXplore Space), Chemspace (Freedom Space, 296B), Ambinter (AMBrosia, 125B), OTAVA (CHEMriya, 55B), WuXi LabNetwork (GalaXi, 26B), and Aurigene (AuriVerse, 4.86B), collectively expose customers to tens of billions of make-on-demand, synthetically accessible compounds with a direct virtual-to-vial ordering workflow.
BioSolveIT monetizes through three streams: commercial software licenses (subscription/annual billing via web shop, quote-based enterprise sales, and FlexLM server licensing), free academic licensing supplemented by the Scientific Challenge program (which provides one-year software access plus research grants), and contract research services. Named enterprise customers include Bayer, Roche, Merck, and BASF, alongside an undisclosed cohort of additional pharmaceutical companies building in-house Chemical Spaces with CoLibri. The company is led by Managing Director Dr. Christian Lemmen, operates with 11–50 employees, is privately held with no disclosed external funding rounds, and has been profitable and self-funded for more than two decades.
BioSolveIT firmographics
Firmographics- Name
- BioSolveIT
- Legal name
- BioSolveIT GmbH
- Website
- https://biosolveit.de
- Company type
- Private
- Founded year
- 2001
- Operating status
- Operating
- Headcount range
- 11–50 employees
- Short description
- BioSolveIT GmbH is a German cheminformatics software company (founded 2001) that builds Chemical Space Docking® and related tools (SeeSAR, infiniSee, FTrees, SpaceLight) to screen trillion-sized combinatorial compound collections for pharmaceutical and academic drug-discovery customers.
- Ownership category
- akta.pro rank
BioSolveIT industry classification
Industry- Product category
- Computational Drug Discovery Software
- NAICS
- Research and Development in Biotechnology (except Nanobiotechnology) (541714)
- SIC
- Services-Commercial Physical & Biological Research (8731)
- akta.pro primary industry
- Cheminformatics & Molecular Modeling / CADD (HLAGAJAE)
- akta.pro secondary industries
- AI/ML Platforms for Drug Discovery & Experiment Optimization (HLAGAJAO), Scientific Data Management & Data Platforms (SDMS/Data Lakehouse for R&D) (HLAGAJAC)
Keywords
Where BioSolveIT is headquartered
LocationHeadquarters
- HQ city
- Sankt Augustin
- HQ country
- Germany
- HQ region
- Europe
Offices1 record
Markets served
BioSolveIT business model
Business model- GTM type
- B2B
- Offering type
- Software
- Cost components
- Technology or R&D, Personnel, Marketing or Sales, Operations, Infrastructure
Revenue model
- Software Licenses (Perpetual/Subscription): BioSolveIT sells software licenses for its platforms (SeeSAR, infiniSee, HPSee) and components (HYDE, FlexX, FlexS, FastGrow, Conformator, FTrees, SpaceLight, SpaceMACS, CoLibri). Licenses are available via web shop purchase, quote requests, and individual assistance. Evaluation licenses (2-week free trial) are offered for all products. The company also provides academic/free licensing for qualifying institutions.
- Contract Research Services: BioSolveIT acts as a contract research partner, supporting drug discovery projects through the entire process including Chemical Space Docking, scaffold hopping, and custom Chemical Space setup. Services leverage proprietary tools to screen billion-sized Chemical Spaces.
- Compound Ordering (Partner Revenue Share): Through partnerships with compound suppliers (Enamine, eMolecules, Ambinter, OTAVA, Chemspace, WuXi LabNetwork, Synple Chem, Aurigene), screening results from Chemical Spaces can be directly ordered. Compounds are delivered within weeks (typically 6-8 weeks for Aurigene's AuriVerse).
Pricing tiers
| Model | Billing | Price |
|---|---|---|
| Freemium | Pay-as-you-go | Free Evaluation License (2-week trial) |
| Freemium | Pay-as-you-go | Academic Free Licensing |
| Subscription | Annual | Commercial Software Licenses |
Go-to-market motion2 records
Distribution channels4 records
Marketing channels8 records
BioSolveIT product offering
Product offeringCore offering
BioSolveIT develops and licenses cheminformatics and molecular modeling software for computational drug discovery, centered on platforms such as SeeSAR (visual drug design dashboard), infiniSee (Chemical Space navigation platform), infiniSee xREAL (Enamine catalog access), HPSee (high-performance computing workflow environment), and Chemical Space Docking. The company also provides contract research services and command-line components (HYDE, FlexX, FTrees, SpaceLight, SpaceMACS, CoLibri) enabling pharmaceutical and academic researchers to screen billions to trillions of synthetically accessible compounds via combinatorial Chemical Space technology, with results directly orderable through partner compound suppliers.
Product overview
BioSolveIT offers a suite of cheminformatics and molecular modeling software for drug discovery. The product portfolio centers on SeeSAR (visual drug design dashboard), infiniSee (Chemical Space navigation platform), infiniSee xREAL (access to Enamine's compound catalog), HPSee (high-performance computing workflow environment), and Chemical Space Docking (structure-based exploration). These platforms are complemented by command-line components including HYDE (scoring), FlexX (docking), FlexS (superposition), FastGrow (pocket exploration), Conformator (3D ensembling), FTrees (pharmacophore similarity), SpaceLight (fingerprint similarity), SpaceMACS (substructure matching), and CoLibri (Chemical Space creation). BioSolveIT also provides access to multiple combinatorial Chemical Spaces including REAL Space (Enamine), eXplore (eMolecules), AuriVerse (Aurigene), Synple Space, Freedom Space, GalaXi, AMBrosia, and CHEMriya.
Differentiator
Problem solved
Functional benefit
Products and services
- SeeSAR An intuitive, visual drug design dashboard covering every step of the drug discovery process from virtual screening to fragment-based design, fostering ideation through molecular modeling tasks for pharmaceutical and academic researchers.
- infiniSee Chemical Space navigation platform that retrieves molecules of interest from Chemical Spaces of almost infinite size based on similarity to a query structure, featuring Scaffold Hopper (FTrees), Analog Hunter (SpaceLight), and Motif Matcher (SpaceMACS) modes for pharmaceutical and academic drug discovery researchers.
- infiniSee xREAL Exclusive access point to Enamine's largest compound catalog of drug-like molecules, allowing users to browse through trillions of candidates on their own hardware for pharmaceutical drug discovery research.
- HPSee Scalable workflow environment that empowers teams with seamless access to high-performance computing for orchestrating jobs, upscaling possibilities, and optimizing virtual screening workflows.
- Chemical Space Docking Structure-based exploration method for mining billions of compounds from ultra-large Chemical Spaces to discover the best drug candidates with exceptional efficiency, marketed as a registered trademark of BioSolveIT GmbH.
- Contract Research Services BioSolveIT acts as a contract research partner, supporting drug discovery projects through Chemical Space Docking, scaffold hopping, and custom Chemical Space setup, leveraging proprietary tools to screen billion-sized Chemical Spaces for pharmaceutical clients.
- AuriVerse Chemical Space Chemical Space created in collaboration with Aurigene Pharmaceutical Services containing 4.86 billion accessible, drug-like products built from 18 validated reaction protocols and 151,038 in-stock building blocks, delivering compounds in 6-8 weeks with approximately 60% synthesis success rate.
Quantifiable outcome
- 39% hit rate in ROCK1 virtual screening study (Nature Communications 2022)
- +3 more outcomes
Companies that use BioSolveIT
Customer profileNamed customers5 records
Segments3 records
Ideal customer profiles3 records
BioSolveIT technology and API
TechnologyTechnology focussed Yes
API detail
- Has API
- No
- API docs
- API detail
Core technology
AI maturity
App detail
Integration1 record
Feature12 records
BioSolveIT partnerships and signals
Strategic signalPartnerships
Nine partnerships are on record, tiered core and minor.
- Aurigene Pharmaceutical ServicescoreAurigene and BioSolveIT co-created AuriVerse, a Chemical Space with 4.86 billion precision-engineered, drug-like products built from 18 validated reaction protocols and 151,038 in-stock building blocks. This is BioSolveIT's first Chemical Space partnership with an India-based company, extending coverage into a new region of expert make-on-demand chemistry. AuriVerse delivers compounds in 6-8 weeks with ~60% synthesis success rate.
- EnaminecoreEnamine collaborates with BioSolveIT to create the REAL Space Chemical Space featuring 95 billion drug-like, make-on-demand compounds (as of 2026-04). The partnership enables researchers to screen the world's largest on-demand Chemical Space and directly order identified compounds from Enamine. REAL Space is one of the most widely used Chemical Spaces in pharmaceutical research.
- eMoleculescoreeMolecules partnered with BioSolveIT to create the eXplore Space, spanning 8.3+ trillion products (as of June 2026). Following eMolecules' merger with Synple, the combined eXplore/Synple Space represents one of the largest searchable compound collections. eMolecules provides compound ordering and synthesis services for all retrieved results.
- Ambinter (Greenpharma)coreAmbinter provides the AMBrosia Chemical Space containing 125 billion compounds (as of 2025-07). Compounds retrieved from AMBrosia searches can be ordered directly via [email protected].
- OTAVAchemicalscoreOTAVA provides the CHEMriya Chemical Space containing 55 billion compounds (as of 2025-10). The space features diverse heterocyclic scaffolds and novel chemotypes. Compounds can be ordered from OTAVA for delivery.
- ChemspacecoreChemspace provides the Freedom Space Chemical Space containing 296 billion compounds (as of 2026-03), available for screening with BioSolveIT tools. Building blocks for the space are available for purchase.
- WuXi LabNetworkcoreWuXi LabNetwork provides the GalaXi Chemical Space containing 26 billion compounds (as of 2025-09), featuring spiro scaffolds and sp3-rich entries from in-house chemistry. Compounds are purchasable through WuXi LabNetwork.
- Synple Chem AGcoreFollowing the eMolecules-Synple merger, Synple Chem provides the Synple Space (merged with eXplore, totalling 8.3 trillion compounds as of June 2026). Synple's automated synthesis approaches and building blocks power the space behind the scenes.
- Zentrum für Bioinformatik (ZBH), Hamburg UniversityminorUniversity of Hamburg's ZBH collaborated with BioSolveIT on algorithm development for SpaceLight (fingerprint-based similarity searching in Chemical Spaces) and SpaceMACS (maximum common substructure searching). Prof. Dr. Matthias Rarey leads the ZBH team.
Scale indicators6 records
Recent moves2 records
Expansion highlights6 records
BioSolveIT competitors and assessment
Company assessmentDirect peers
- Cresset: Direct peer providing computational chemistry software (Flare, Spark, Blaze) for ligand-based and structure-based drug design. Overlaps with BioSolveIT in scaffold hopping and 3D molecular modeling.
- Schrödinger: Direct peer in computational drug discovery software, offering physics-based molecular simulation, FEP+, and LiveDesign. Competes with BioSolveIT for pharma CADD budgets but operates at much greater scale and scope.
- ChemAxon: Direct peer providing cheminformatics toolkits (JChem, Marvin, Chemicalize) used by pharma for molecule handling, similarity, and structure processing. Comparable to BioSolveIT's command-line components for chemical informatics.
- Optibrium: Direct peer offering StarDrop for compound scoring, ADME prediction, and multi-parameter optimization. Already an integration partner of BioSolveIT via ADME predictions inside infiniSee, illustrating deep functional overlap.
- Chemical Computing Group (CCG): Direct peer offering the MOE (Molecular Operating Environment) drug discovery platform, including docking, pharmacophore, and QSAR tools. Comparable to SeeSAR for integrated drug design workflows.
- OpenEye Scientific (Cadence Design Systems): Direct peer providing cheminformatics and molecular modeling tools (OEDocking, ROCS, FRED) widely used in pharma. Targets the same medicinal chemistry and virtual screening use cases as BioSolveIT's SeeSAR and infiniSee.
Emerging players
- MolPort: Emerging player aggregating compound sourcing from global suppliers. Comparable to BioSolveIT's Chemical Space supplier partnerships in serving the make-on-demand compound procurement workflow adjacent to virtual screening.
- XtalPi: Listed partner of BioSolveIT and an AI-driven drug discovery company combining physics-based modeling with ML for hit identification. Adjacent to BioSolveIT's CADD approach but with stronger AI/ML emphasis and greater scale.
Broad incumbents
- BIOVIA (Dassault Systèmes): Broad incumbent offering BIOVIA Discovery Studio and related pipelines for molecular modeling and drug discovery. Competes with BioSolveIT for enterprise pharma CADD seats but at much larger platform scale.
- Dotmatics: Broad incumbent in scientific informatics for drug discovery, offering an end-to-end R&D platform that competes with BioSolveIT for pharma software spend. Larger scale and broader scope than BioSolveIT's CADD-focused portfolio.
Market position
Strengths5 records
Weaknesses5 records
Competitive moat5 records
Key risks6 records
Key highlights7 records
Customer concentration
BioSolveIT social profiles
Digital presenceBioSolveIT financial estimates
Financial estimateRevenue estimate
Valuation estimate
BioSolveIT leadership team
Management profileNumber of profiles
Profiles1 record
BioSolveIT subsidiaries and ownership
Company hierarchySubsidiaries1 record
BioSolveIT funding detail
Funding detailFunding overview
Funding rounds
Investors
Funding detail is available on the Subscription and Enterprise plan.Contact sales →
BioSolveIT M&A and investment
M&A and investmentM&A
Investments
M&A and investment is available on the Subscription and Enterprise plan.Contact sales →
Frequently asked questions about BioSolveIT
What does BioSolveIT do?
BioSolveIT develops and licenses cheminformatics and molecular modeling software for computational drug discovery, centered on platforms such as SeeSAR (visual drug design dashboard), infiniSee (Chemical Space navigation platform), infiniSee xREAL (Enamine catalog access), HPSee (high-performance computing workflow environment), and Chemical Space Docking. The company also provides contract research services and command-line components (HYDE, FlexX, FTrees, SpaceLight, SpaceMACS, CoLibri) enabling pharmaceutical and academic researchers to screen billions to trillions of synthetically accessible compounds via combinatorial Chemical Space technology, with results directly orderable through partner compound suppliers.
Is BioSolveIT a public or private company?
BioSolveIT is a private company. It is classified as founder individual operated bootstrapped and is currently operating.
When was BioSolveIT founded?
BioSolveIT was founded in 2001. It employs 11 to 50 people.
Where is BioSolveIT based?
BioSolveIT is headquartered in Sankt Augustin, Germany, in the Europe region.
How does BioSolveIT make money?
Three revenue lines are on record. Software Licenses (Perpetual/Subscription) is the primary driver. The others are contract Research Services and compound Ordering (Partner Revenue Share).
Who are BioSolveIT's main competitors?
Direct peers on record are Cresset, Schrödinger, ChemAxon, Optibrium, Chemical Computing Group (CCG) and OpenEye Scientific (Cadence Design Systems). Emerging players are MolPort and XtalPi. Broad incumbents are BIOVIA (Dassault Systèmes) and Dotmatics.
Does BioSolveIT have an API?
No public API is recorded for BioSolveIT.
What industry is BioSolveIT in?
BioSolveIT's product category is Computational Drug Discovery Software. Its primary akta.pro industry code is HLAGAJAE, Cheminformatics & Molecular Modeling / CADD, with a secondary code of HLAGAJAO, AI/ML Platforms for Drug Discovery & Experiment Optimization. Its NAICS code is 541714 and its SIC code is 8731.