What Collaborations Pharma does

Collaborations Pharmaceuticals, Inc.® is a privately held, Raleigh, North Carolina-based research and development company founded in 2016 that applies proprietary machine learning and artificial intelligence software to drug discovery, toxicology assessment, and molecular design. The company operates a platform-plus-modules architecture anchored on Assay Central (a 16-algorithm ML model-building suite using ECFP/FCFP descriptors), complemented by specialized predictive tools — MegaTox (hundreds of ADME/toxicology models including hepatotoxicity, cardiotoxicity, DILI, ecotoxicology), MegaPredict (thousands of ChEMBL-derived bioactivity and off-target models), MegaTrans (FDA-aligned human uptake/efflux transporter models), and MegaAChE (acetylcholinesterase models across seven species) — and the generative platform MegaSyn (RNN-based de novo molecular design with multi-objective optimization, retrosynthetic analysis, and automated analog design). Supporting utilities include UV-adVISor and MegaSpec (spectral prediction from structure), eClean (data curation), MacrolactoneDB (~14,000-compound database), MegaInventory (lab inventory), MegaScribe (LLM report generation), and a PFAS Detection Tool.

The company monetizes through four parallel streams: (i) software licensing of MegaTox, MegaTrans, MegaPredict and customizable model subsets via annual server licenses and API/batch access; (ii) fee-for-service computational projects for client-specific discovery problems; (iii) curated data licensing for internal client use; and (iv) U.S. government SBIR contracts, most recently a $1,999,195 NIAID award (November 2025) with UTMB for preclinical Ebola studies. Customer segments span pharmaceutical, consumer product, animal health, and agrochemical companies (horizontal segmentation), plus NIH/NIAID/NCI as a government-research buyer and rare-disease patient foundations (e.g., Pitt Hopkins Research Foundation) as advocacy funders.

Beyond software, the company operates an internal therapeutics pipeline focused on rare, neglected, and infectious diseases, with disclosed assets spanning Batten CLN1 disease (CLN1 Registry), Ebola, Nipah, Yellow Fever, Hepatitis B, Chagas disease, stroke, chordoma, and Pitt Hopkins Syndrome. Track record includes >190 peer-reviewed publications, 9 FDA Orphan Drug Designations, 3 FDA Rare Pediatric Drug Designations, 2 issued patents with >12 pending, and 7 registered trademarks; active co-development partners include UTMB, SRI International, NCSU, Saint Louis University, UCSD, University of Kentucky, UNC Catalyst, NCI, and NIAID.

Name

Collaborations Pharma

Legal name

Collaborations Pharmaceuticals, Inc.®

Website

https://collaborationspharma.com

Company type

Private

Founded year

2016

Operating status

Operating

Headcount range

11–50 employees

Short description

Collaborations Pharmaceuticals is a privately held Raleigh-based company that builds proprietary AI/ML software (MegaTox, MegaSyn, MegaPredict, MegaTrans, Assay Central) for drug discovery, ADME/Tox prediction, and generative molecular design, serving pharmaceutical, consumer product, animal health, and agrochemical clients while advancing internal pipeline candidates for rare and neglected infectious diseases.

Ownership category

akta.pro rank

Product category

AI Drug Discovery Software

NAICS

Research and Development in Biotechnology (except Nanobiotechnology) (541714), Scientific Research and Development Services (5417)

SIC

Services-Commercial Physical & Biological Research (8731), Pharmaceutical Preparations (2834)

akta.pro primary industry

AI/ML Platforms for Drug Discovery & Experiment Optimization (HLAGAJAO)

akta.pro secondary industries

Drug Discovery (Target ID/Validation & Hit Discovery) (HLAIALAA), In Silico / Computational Toxicology & PK/PD Modeling (HLAGAFAM), Cheminformatics & Molecular Modeling / CADD (HLAGAJAE)

Keywords

• AI drug discovery
• Machine learning software
• ADME toxicology prediction
• Generative molecular design
• Computational chemistry tools

Headquarters

HQ city

Raleigh

HQ country

United States

HQ region

North America

Offices1 record

Markets served

GTM type

B2B

Offering type

Software

Cost components

Personnel, Technology or R&D, Operations, Marketing or Sales, Infrastructure

Revenue model

1. Software Licensing: The company licenses their machine learning tools including MegaTox, MegaTrans, MegaPredict, and subsets of models to pharmaceutical, consumer product, animal health, and agrochemical companies. Annual server licenses and customization options are available.
2. Fee for Service: The company offers fee-for-service work using their tools including MegaSyn, MegaPredict, MegaTrans, MacrolactoneDB, eClean, and others for client-specific projects.
3. Government Contracts: NIH SBIR contracts for drug discovery research. Collaborations Pharmaceuticals and UTMB received a $1,999,195 SBIR contract from NIAID for preclinical studies on pyronaridine as Ebola treatment.
4. Data Licensing: The company can provide curated data underlying public datasets for internal client use.

Pricing tiers

Go-to-market motion2 records

Distribution channels3 records

Marketing channels4 records

Core offering

Collaborations Pharmaceuticals develops and licenses a suite of AI/ML software tools for drug discovery and toxicology assessment, including ADME/Tox prediction (MegaTox), bioactivity and repurposing models (MegaPredict), transporter interaction models (MegaTrans), generative molecular design (MegaSyn), and machine learning model building (Assay Central). The company also performs contract research and develops its own pipeline of therapeutics focused on rare, neglected, and infectious diseases.

Product overview

Collaborations Pharma operates a platform-plus-modules architecture centered on AI/ML-powered drug discovery software. The core platform includes Assay Central for building machine learning models, supplemented by specialized model collections: MegaTox (ADME/toxicology), MegaPredict (ChEMBL-sourced activity models), MegaTrans (transporter interactions), and MegaAChE (acetylcholinesterase). The generative platform MegaSyn enables de novo molecular design. Supporting tools include UV-adVISor and MegaSpec for spectral prediction, eClean for data curation, MacrolactoneDB as a searchable molecule database, MegaInventory for lab inventory management, MegaScribe for AI-powered report generation, and a PFAS Detection Tool for regulatory compliance screening. All tools are available individually or for fee-for-service projects, with licensing options.

Differentiator

Problem solved

Functional benefit

Brands

• MegaScribe: Next-generation, AI-powered report writing platform designed to transform raw information into polished, structured reports.
• MegaSpec
• Assay Central
• MegaTox
• MegaSyn
• MegaTrans
• eClean
• MegaPredict
• UV-adVISor
• MegaAChE
• MacrolactoneDB
• MegaInventory

Products and services

• MegaTox A suite of hundreds of curated and validated ADME and toxicology machine learning models covering hepatotoxicity, cytotoxicity, mutagenicity, cardiotoxicity, drug-drug interactions, microsomal stability, PXR, DILI, ecotoxicology, and LD50 predictions, with an optional read-across module. Targeted at pharmaceutical, consumer product, animal health, and agrochemical organizations.
• MegaPredict Thousands of machine learning models generated from ChEMBL data, covering phenotypic screens, individual targets, and ADME/Tox datasets, used for ranking repurposing opportunities and off-target effects of molecules.
• MegaTrans Curated and validated machine learning models for human uptake and efflux transporter predictions important for drug-transporter interactions, including models described in FDA guidance to industry.
• MegaAChE Acetylcholinesterase (AChE) inhibition prediction machine learning models for seven different species, supporting human therapeutics, environmental safety, and agrochemical applications.
• MegaSyn A generative AI platform for de novo molecular design using Recurrent Neural Networks with multi-objective optimization, integrated with retrosynthetic analysis and automated analog designer to create synthetically feasible novel compounds, peptides, and polymers.
• Assay Central A web-based machine learning platform providing 16 algorithms (deep learning, random forest, SVM, XGBoost, Bayesian methods, KNN, etc.) for curating structure-activity data, building and validating ML models using ECFP/FCFP descriptors, with built-in data visualization.
• eClean Software for molecule dataset preparation, semi-automatic curation, and data visualization including unit conversion, SMILES/MolFile handling, duplicate removal, salt/fragment removal, charge neutralization, ECFP/MACCs fingerprint similarity matrix, and t-SNE generation.
• MegaSpec A computational tool enabling GC/MS spectra prediction for molecules from SMILES alone using a fine-tuned Molecular Bidirectional Auto-Regressive Transformer (MolBART), ranking candidate molecules from spectra matching with 80%+ top-10 accuracy.
• UV-adVISor A computational tool for predicting UV-Vis spectra from molecular structure using machine learning, with applications in phototoxicity prediction, dye development, and high-throughput assay design (US Patent Pending).
• MegaScribe An AI-powered report writing platform using large language models (LLMs) that transforms uploaded documents (PDF, DOCX) into polished, structured reports with word-processor-style editing, customizable variables, and PDF/DOCX export.
• MegaInventory A web-based chemical inventory tracking software with fine-grained location tracking, complex querying, cross-platform support, and the ability to capture structure and molecular weight data.
• MacrolactoneDB A database of approximately 14,000 macrolactones with physicochemical properties and biological data, searchable by ring structure, molecular properties (Lipinski rules), and bioactivity.
• PFAS Detection Tool A tool for checking PFAS classification from SMILES strings across multiple regulatory rule sets, with results delivered via email.

Quantifiable outcome

• Over 80% accuracy in GC/MS spectra matching - correct compound ranked within top 10 in over 80% of searches
• +1 more outcomes

Named customers5 records

Segments6 records

Ideal customer profiles5 records

Technology focussed Yes

API detail

Has API

No

API docs

API detail

Core technology

AI maturity

App detail

AI capability8 records

Feature13 records

Partnerships

13 partnerships are on record, tiered core and minor.

• University of Texas Medical Branch (UTMB)coreStrategic or Co-development Partner · 19 November 2025Collaborations Pharmaceuticals and UTMB were awarded a $1,999,195 SBIR contract from NIAID to conduct preclinical in vivo studies on pyronaridine as a potential oral treatment for Ebola. The research aims to develop a stockpiled antiviral for future outbreaks.
• SRI InternationalcoreStrategic or Co-development PartnerCollaboration with SRI International for development of UV-adVISor, a computational tool for predicting UV-Vis spectra from molecule structure using machine learning.
• North Carolina State University (NCSU) - Dr. Phyo Phyo Kyaw Zin and Dr. Gavin WilliamscoreStrategic or Co-development PartnerCollaboration to develop MacrolactoneDB database consisting of ~14,000 macrolactones along with their physicochemical properties and biological data.
• Saint Louis University (SLU)coreStrategic or Co-development PartnerCollaboration with SLU researchers to identify novel molecule series with in vitro activity against Hepatitis B and Cryptococcus neoformans/gattii.
• University of California San Diego (UCSD)coreStrategic or Co-development PartnerCollaboration with UCSD to identify pyronaridine as demonstrating activity against T cruzi (Chagas Disease) in vitro and in vivo in mice.
• University of KentuckycoreStrategic or Co-development PartnerCollaboration with University of Kentucky scientists to identify new small molecule inhibitor of CCR3/CCR4 for stroke treatment.
• UNC CatalystcoreStrategic or Co-development PartnerCollaboration with UNC Catalyst group to determine synergy of kinase inhibitor combinations for chordoma treatment.
• NIAID (National Institute of Allergy and Infectious Diseases)coreStrategic or Co-development PartnerNIAID provides funding and resources for testing molecules against various viruses including enteroviruses, Ebola, and other infectious diseases.
• National Cancer Institute (NCI)coreStrategic or Co-development PartnerPartnership with NIH NCI to test over 250 novel small molecules against 60 different cancer cell types for lead molecule identification.
• CANFITE BioPharma LtdminorStrategic or Co-development PartnerPartner company logo displayed on company website partners section.
• PsychoGenicsminorStrategic or Co-development PartnerPartner company logo displayed on company website partners section.
• StepanminorStrategic or Co-development PartnerPartner company logo displayed on company website partners section.
• Bausch + LombminorStrategic or Co-development PartnerPartner company logo displayed on company website partners section.

Scale indicators8 records

Recent moves6 records

Expansion highlights5 records

Broad incumbents

• Certara: Larger public company providing regulatory-grade biosimulation, ADME/Tox, PBPK, and quantitative drug development software — broader portfolio but addresses the same pharma customers seeking in silico ADME/Tox and PK/PD modeling that MegaTox targets.
• OpenEye Scientific (Cadence Design Systems): Molecular modeling and cheminformatics software suite (now part of Cadence) used by pharma for FEP+, docking, and ADME prediction — comparable in serving medicinal chemistry teams, with broader molecular dynamics capabilities than Collaborations Pharma's ML-centric approach.

Direct peers

• BenevolentAI: AI drug discovery company combining knowledge graphs with ML to identify new drug targets and advance programs — comparable target-identification and translational workflow that overlaps with Collaborations Pharma's rare-disease pipeline strategy.
• Recursion Pharmaceuticals: Clinical-stage AI-driven drug discovery company combining high-throughput biology with machine learning to build a broad therapeutic pipeline — overlaps with Collaborations Pharma's ML-driven approach to identifying novel therapeutics for rare and infectious diseases.
• Schrödinger: Publicly-traded computational chemistry and AI drug discovery platform offering molecular simulation, predictive modeling, and collaborative discovery software — directly comparable to Collaborations Pharma's Assay Central, MegaTox, and MegaSyn toolset for pharma and materials customers.
• Insilico Medicine: AI drug discovery company operating Pharma.AI platform for target identification, generative chemistry, and clinical prediction — directly competes in the AI/ML drug discovery software and pipeline development space that Collaborations Pharma serves.
• Exscientia: AI-driven precision medicine company using generative AI for small molecule design and patient-derived assays — comparable in offering AI-native drug discovery capabilities to pharma partners, competing with MegaSyn and MegaPredict-style offerings.
• Atomwise: AI drug discovery company applying structure-based deep learning (AtomNet) to small molecule hit identification — closely comparable to Collaborations Pharma's predictive ML model collections for ADME/Tox and bioactivity.

Emerging players

• Molecular Networks GmbH / Altamira (Revvity Signals): Cheminformatics software and services provider offering tools for chemical data management, virtual screening, and molecular modeling — adjacent to MegaSyn and Assay Central in target customer and use case.
• ChemAxon: Cheminformatics platform company providing chemical structure handling, search, and predictive property calculators to pharma and agrochemical R&D — comparable in serving chemistry-driven customers with software tools, though broader and more enterprise-scaled.

Market position

Strengths5 records

Weaknesses5 records

Competitive moat4 records

Key risks6 records

Key highlights7 records

Customer concentration

• LinkedInlinkedin.com/company/collaborations-pharmaceuticals-inc

Revenue estimate

Valuation estimate

Number of profiles

Profiles1 record

Funding overview

Funding rounds1 record

Investors1 record

Funding detail is available on the Subscription and Enterprise plan.Contact sales →

M&A

Investments

M&A and investment is available on the Subscription and Enterprise plan.Contact sales →

Frequently asked questions about Collaborations Pharma