ProtoQSAR
ProtoQSAR is a Spanish computational chemistry company that operates the proprietary ProtoPRED platform with 60+ QSAR models for predicting toxicity, ecotoxicity, physicochemical, and ADME properties of chemical compounds. It serves pharmaceutical, chemical, cosmetic, and agrochemical companies needing REACH-, CLP-, and ICH-compliant alternatives to animal testing.
- Company typePrivate
- Founded2012
- HeadquartersPaterna, Spain
- Headcount1–10
- GTM typeB2B
- OfferingSoftware
What ProtoQSAR does
ProtoQSAR is a Spanish computational chemistry company founded in 2012 and headquartered in the Technology Park of Paterna (Valencia), Spain. The firm specializes in QSAR (Quantitative Structure-Activity Relationships) modeling and in silico predictive toxicology, offering a proprietary platform called ProtoPRED that runs 60+ models covering toxicity, physicochemical properties, ecotoxicity, and ADME endpoints. Each prediction is documented under OECD-compliant QMRF and QPRF formats, positioning the offering as a regulatorily accepted alternative to animal testing under EU frameworks including REACH, CLP, ICH, and related guidelines. The company's primary customers are pharmaceutical, chemical, cosmetic, and agrochemical firms, along with regulatory consultancies that require validated computational evidence for submissions.
The business operates a hybrid revenue model: a self-serve token-based platform (pay-per-prediction with volume discounts), annual licenses for teams performing 200+ predictions per year, professional services for customized QSAR/SAR/read-across studies, and online training courses priced at €300-€900. Distribution mixes product-led growth through ProtoPRED with direct enterprise sales for bespoke regulatory projects and event-driven lead generation through European consortium participation (HORIZON, IHI, LIFE, Marie Skłodowska-Curie, Interreg Sudoe) and scientific congresses. The firm is founder-led (Rafael Gozalbes Botella, PhD in Pharmacy), privately held, and bootstrapped, with one disclosed public grant of ~$82,941 from EISMEA in 2018.
In 2024 ProtoQSAR established a wholly-owned Italian subsidiary, ProtoQSAR Italia s.r.l. (Pisa), led by Alberto Manganaro. The Italian branch now handles software implementation for the VEGA open-source QSAR platform (100+ models) under a strategic partnership with the Istituto di Ricerche Farmacologiche Mario Negri, and participates in EU research projects including the INERIS-led ED-Screen endocrine disruptor screening initiative. Headcount remains small (1-10 employees), but the team has produced 100+ peer-reviewed publications, 8 book chapters, and 80+ conference presentations, and has been recognized as an Innovative Technology-Based Company (EIBT Seal, 2019) and Innovative SME (PYME Innovadora Seal, 2018).
ProtoQSAR firmographics
Firmographics- Name
- ProtoQSAR
- Legal name
- ProtoQSAR 2000 SL
- Website
- https://protoqsar.com
- Company type
- Private
- Founded year
- 2012
- Operating status
- Operating
- Headcount range
- 1–10 employees
- Short description
- ProtoQSAR is a Spanish computational chemistry company that operates the proprietary ProtoPRED platform with 60+ QSAR models for predicting toxicity, ecotoxicity, physicochemical, and ADME properties of chemical compounds. It serves pharmaceutical, chemical, cosmetic, and agrochemical companies needing REACH-, CLP-, and ICH-compliant alternatives to animal testing.
- Ownership category
- akta.pro rank
ProtoQSAR industry classification
Industry- Product category
- Computational Toxicology Software
- NAICS
- Research and Development in the Physical, Engineering, and Life Sciences (except Nanotechnology and Biotechnology) (541715)
- SIC
- Services-Commercial Physical & Biological Research (8731)
- akta.pro primary industry
- In Silico / Computational Toxicology & PK/PD Modeling (HLAGAFAM)
- akta.pro secondary industry
- Cheminformatics & Molecular Modeling / CADD (HLAGAJAE)
Keywords
Where ProtoQSAR is headquartered
LocationHeadquarters
- HQ city
- Paterna
- HQ country
- Spain
- HQ region
- Europe
Offices2 records
Markets served
ProtoQSAR business model
Business model- GTM type
- B2B
- Offering type
- Software
- Cost components
- Personnel, Technology or R&D, Operations, Marketing or Sales, Infrastructure
Revenue model
- ProtoPRED Token System: Token-based access to ProtoPRED computational prediction platform with volume discounts - the more tokens purchased, the lower the cost per prediction. Provides instant access to QSAR model predictions for chemical compound properties.
- Annual Platform Licenses: Annual licenses for teams that use the ProtoPRED platform intensively, becoming cost-effective from approximately 200 predictions per year.
- Customized Studies: Tailor-made QSAR, SAR, read-across, and compound prioritization studies delivered as reports ready for regulatory submission. Pricing depends on number of compounds, endpoints involved, and documentation level required.
- Training Courses: Online training courses on QSAR model development with Python (600 EUR standard, discounts for students/LMIC academics) and computational toxicology for regulatory compliance (900 EUR standard). Customized in-person or remote training also available.
Pricing tiers
| Model | Billing | Price |
|---|---|---|
| Usage-based | Pay-as-you-go | Token-based prediction access with volume discounts |
| Subscription | Annual | Annual team license for intensive platform users |
| One time/ perpetual license | Pay-as-you-go | QSAR Python Development Course - Standard Rate |
| One time/ perpetual license | Pay-as-you-go | QSAR Python Development Course - Reduced Rate |
| One time/ perpetual license | Pay-as-you-go | Computational Toxicology for Regulatory - Standard Rate |
| One time/ perpetual license | Pay-as-you-go | Computational Toxicology for Regulatory - Reduced Rate |
| Other | Multi-year contract | Customized study pricing |
Go-to-market motion3 records
Distribution channels4 records
Marketing channels5 records
ProtoQSAR product offering
Product offeringCore offering
ProtoQSAR develops and operates ProtoPRED, a computational prediction platform featuring more than 60 proprietary QSAR (Quantitative Structure-Activity Relationships) models for predicting toxicity, physicochemical properties, ecotoxicity, and ADME properties of chemical compounds. The company also delivers tailor-made QSAR, SAR, read-across, and compound prioritization studies, molecular modeling services (homology modeling, pharmacophore modeling, docking, dynamics, virtual screening), and online training courses on QSAR development and regulatory toxicology. Outputs are documented with QMRF and QPRF for regulatory acceptance under OECD, REACH, CLP, and ICH guidelines.
Product overview
ProtoQSAR offers a computational chemistry platform centered on its proprietary ProtoPRED software, complemented by specialized services including computational toxicology, design and optimization (drug discovery), chemoinformatics, molecular modeling, and professional training courses. ProtoPRED serves as the core product offering with over 60 integrated QSAR models, while the service portfolio provides custom studies, regulatory support, and educational programs. The company also maintains a subsidiary (ProtoQSAR Italia) focused on QSAR modeling and chemoinformatics software development.
Differentiator
Problem solved
Functional benefit
Brands
- ProtoPRED: Computational prediction platform for chemical compounds using proprietary QSAR models for toxicity, physicochemical properties, ecotoxicity, and ADME predictions, enabling regulatory compliance with REACH and ICH guidelines.
Products and services
- ProtoPRED Computational prediction platform with more than 60 proprietary QSAR models covering toxicity, physicochemical properties, ecotoxicity, and ADME properties. Provides instant predictions for chemical compounds, with each prediction documented in QMRF/QPRF format for regulatory acceptance under REACH, CLP, and ICH guidelines. Accessed via token-based or annual licensing.
- Customized QSAR/SAR Studies Tailor-made QSAR, SAR, read-across, and compound prioritization studies delivered as reports ready for regulatory submission. Includes strategy design, validation, interpretation of results, and preparation/review of QMRF and QPRF documentation. May leverage third-party tools such as QSAR Toolbox and VEGA when no equivalent internal model is available.
- Molecular Modeling Services Drug discovery and design services offering homology modeling, pharmacophore modeling, molecular docking, molecular dynamics simulation, and virtual screening. Used for ADME-T property prediction, drug repositioning, virtual screening, and compound optimization.
- Online Training Courses Online, self-paced training courses covering QSAR model development with Python (60 hours, 4 months to complete) and computational toxicology for regulatory compliance (60 hours, 6 months). Delivered in English with reduced rates for students and academics from low- and middle-income countries. Customized in-person or remote training also available.
Quantifiable outcome
- Instant prediction results compared to weeks for traditional laboratory testing
- +2 more outcomes
Companies that use ProtoQSAR
Customer profileSegments5 records
Ideal customer profiles5 records
ProtoQSAR technology and API
TechnologyTechnology focussed Yes
API detail
- Has API
- No
- API docs
- API detail
Core technology
AI maturity
App detail
Integration2 records
AI capability2 records
Feature4 records
ProtoQSAR partnerships and signals
Strategic signalPartnerships
Nine partnerships are on record, tiered core and minor.
- Istituto di Ricerche Farmacologiche Mario NegricoreProtoQSAR Italia supports the Italian Istituto di Ricerche Farmacologiche Mario Negri in the development of the VEGA open-source platform, being in charge of software implementation. VEGA is a widely-used platform with more than 100 QSAR models designed for regulatory usage.
- INERIScoreProtoQSAR is a sub-contractor in the ED-Screen research project led by INERIS, which brings together chemo- and bio-informatics to create a novel tool for virtual screening of potential endocrine disruptor substances.
- MoldrugcoreAssociated company working together with ProtoQSAR and ProtoQSAR Italy in actively seeking industrial and academic partners. Part of the consortium pursuing collaborative projects.
- IQM-CSIC (Instituto de Química Médica)coreProtoQSAR signed an agreement with the Instituto de Química Médica, a center belonging to the Consejo Superior de Investigaciones Científicas (CSIC), for collaboration in computational modeling and chemoinformatics research.
- ToxNavigationminorProtoQSAR collaborates with ToxNavigation, a recognized training company offering comprehensive courses in in silico regulatory toxicology. ProtoQSAR's courses are offered through ToxNavigation's platform.
- University of GalwayminorAcademic partnership for collaboration in research and training activities, student supervision, and course delivery within university programs.
- Universitat de ValènciaminorAcademic partnership for collaboration in research and training activities, student supervision, and course delivery within university programs.
- Universitat Jaume IminorAcademic partnership for collaboration in research and training activities, student supervision, and course delivery within university programs.
- Universidade da CoruñaminorAcademic partnership for collaboration in research and training activities, student supervision, and course delivery within university programs.
Scale indicators6 records
Recent moves5 records
Expansion highlights6 records
ProtoQSAR competitors and assessment
Company assessmentBroad incumbents
- Schrödinger: Computational chemistry and molecular modeling platform (LiveDesign, Glide, Desmond) serving pharma and materials customers for drug discovery and property prediction. Comparable to ProtoQSAR in the molecular modeling, docking, and ADMET prediction space, but operates as a much larger publicly-traded platform company.
- Simulations Plus (now part of Certara): Provider of ADMET property prediction, PBPK modeling (GastroPlus, ADMET Predictor), and cheminformatics software serving pharma and chemical clients. Overlaps with ProtoQSAR on QSAR/ADME prediction and regulatory support but is a much larger, more diversified company with deeper enterprise coverage.
- OpenEye Scientific (Cadence Design Systems): Cheminformatics and molecular modeling platform (ROCS, Orion, Floe) used for drug discovery and computational chemistry in pharma and biotech. Comparable to ProtoQSAR on the cheminformatics and molecular modeling side, particularly for 'Design and Optimization' services, though it is a far larger and more established vendor.
- ACD/Labs (Advanced Chemistry Development): Supplies cheminformatics and analytical chemistry software (e.g., ACD/Percepta for ADMET and toxicity prediction) used in pharma, chemical, and academic settings. Overlaps with ProtoQSAR on QSAR/ADMET prediction workflows and regulatory endpoints, but operates as a broader scientific software vendor with a much wider product portfolio.
- ChemAxon: Cheminformatics platform (JChem, Marvin, DesignHub) used for chemical structure handling, property prediction, and virtual screening by pharma and chemical companies. Comparable to ProtoQSAR on the cheminformatics and molecular modeling core, but positioned as a broader enterprise scientific software vendor.
Direct peers
- Molecular Networks (Scion): Cheminformatics software company providing tools such as MOSES and ChemAxon-integrated platforms for chemical data management, modeling, and toxicology prediction. Comparable to ProtoQSAR on the cheminformatics and molecular modeling side, with similar scientific customer base in pharma, chemicals, and academia.
- Leadscope (Instem): Leadscope provides QSAR and expert alert software for genetic toxicology and general toxicology, integrated into Instem's broader preclinical software platform. Comparable to ProtoQSAR for predictive toxicology, statistical QSAR modeling, and regulatory documentation, with the difference that it sits inside a larger life sciences software suite.
- MultiCASE: Provider of CASE Ultra and related QSAR expert systems for toxicity and property prediction, used widely for REACH and regulatory submissions. Directly comparable to ProtoQSAR's ProtoPRED in the QSAR-based regulatory toxicology niche, serving overlapping pharmaceutical and chemical industry customers.
- Lhasa Limited: UK-based not-for-profit that develops expert in silico tools for chemical safety assessment (e.g., Derek Nexus, Sarah Nexus) supporting REACH and ICH submissions. Closest direct peer to ProtoQSAR: same customer base (pharma, chemical, cosmetic), same regulatory-use case for QSAR predictions, and similar scientific-to-commercial model.
Emerging players
- Sciteg: Provider of computational toxicology and read-across services (e.g., ToxRead) and QSAR tools for regulatory purposes, often used alongside VEGA. Comparable to ProtoQSAR in offering QMRF/QPRF-ready read-across and QSAR assessments for REACH and ICH submissions, but with a narrower read-across focus.
Market position
Strengths5 records
Weaknesses5 records
Competitive moat5 records
Key risks6 records
Key highlights6 records
Customer concentration
ProtoQSAR social profiles
Digital presenceProtoQSAR financial estimates
Financial estimateRevenue estimate
Valuation estimate
ProtoQSAR leadership team
Management profileNumber of profiles
Profiles6 records
ProtoQSAR subsidiaries and ownership
Company hierarchySubsidiaries1 record
ProtoQSAR funding detail
Funding detailFunding overview
Funding rounds1 record
Investors1 record
Funding detail is available on the Subscription and Enterprise plan.Contact sales →
ProtoQSAR 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 ProtoQSAR
What does ProtoQSAR do?
ProtoQSAR develops and operates ProtoPRED, a computational prediction platform featuring more than 60 proprietary QSAR (Quantitative Structure-Activity Relationships) models for predicting toxicity, physicochemical properties, ecotoxicity, and ADME properties of chemical compounds. The company also delivers tailor-made QSAR, SAR, read-across, and compound prioritization studies, molecular modeling services (homology modeling, pharmacophore modeling, docking, dynamics, virtual screening), and online training courses on QSAR development and regulatory toxicology. Outputs are documented with QMRF and QPRF for regulatory acceptance under OECD, REACH, CLP, and ICH guidelines.
Is ProtoQSAR a public or private company?
ProtoQSAR is a private company. It is classified as founder individual operated bootstrapped and is currently operating.
When was ProtoQSAR founded?
ProtoQSAR was founded in 2012. It employs 1 to 10 people.
Where is ProtoQSAR based?
ProtoQSAR is headquartered in Paterna, Spain, in the Europe region.
How does ProtoQSAR make money?
Four revenue lines are on record. ProtoPRED Token System is the primary driver. The others are annual Platform Licenses, customized Studies and training Courses.
Who are ProtoQSAR's main competitors?
Broad incumbents on record are Schrödinger, Simulations Plus (now part of Certara), OpenEye Scientific (Cadence Design Systems), ACD/Labs (Advanced Chemistry Development) and ChemAxon. Direct peers are Molecular Networks (Scion), Leadscope (Instem), MultiCASE and Lhasa Limited. Sciteg is listed as an emerging player.
Does ProtoQSAR have an API?
No public API is recorded for ProtoQSAR.
What industry is ProtoQSAR in?
ProtoQSAR's product category is Computational Toxicology Software. Its primary akta.pro industry code is HLAGAFAM, In Silico / Computational Toxicology & PK/PD Modeling, with a secondary code of HLAGAJAE, Cheminformatics & Molecular Modeling / CADD. Its NAICS code is 541715 and its SIC code is 8731.