Biochemical Infometrics

What Biochemical Infometrics does

Biochemical Infometrics is a one-person, nonprofit scientific consulting company founded in 2008 by Dr. R.D. (Bob) Clark and resurrected in April 2022 after Clark's retirement from Simulations Plus, Inc. The firm provides drug design and cheminformatics consulting services to smaller biotech and pharmaceutical companies that lack in-house molecular modeling expertise or need independent validation of computational methods. Service offerings include Strategic Investment Guidance (due diligence for biotech financing decisions), Molecular Triage, Method and Model Validation, Outsourcing support for molecular modeling functions, and customized CAMD and QSAR training programs.

The firm's technical differentiation rests on Bob Clark's 40+ years of interdisciplinary experience spanning agrochemicals (Monsanto), cheminformatics platform development (Tripos as VP of Science & Research), and ADME/Tox predictive modeling (Simulations Plus as Director of Life Sciences). Clark is co-inventor of multiple foundational computational chemistry methods — GALAHAD pharmacophore elucidation, OptiSim dissimilarity selection, OptiDock combinatorial docking, OptDesign library design, TUPLET pharmacophore multiplets, topomer similarity, and DRESS predictive uncertainty estimation — and has led research teams behind industry-standard products including GastroPlus, MembranePlus, MedChem Studio, and ADMET Predictor. Current consulting work leverages third-party software from Tripos, OpenEye, and BioPharmics, alongside novel in-house approaches such as AI-driven Drug Design (AIDD) coupling high-throughput pharmacokinetic simulation to multi-objective molecular evolution.

The go-to-market is referral-driven through Clark's professional network and academic position as Adjunct Professor of Informatics at Indiana University Bloomington (held since January 2006). The entity operates from Bloomington, Indiana with no formal marketing infrastructure, no disclosed revenue, no external investors, and no employees beyond its founder. Pricing is quote-based on individual engagement scope.

Name

Biochemical Infometrics

Legal name

Biochemical Infometrics

Website

https://bcmetrics.org

Company type

Private

Founded year

2008

Operating status

Operating

Short description

Biochemical Infometrics is a one-person nonprofit scientific consulting firm, revived in April 2022 by founder Bob Clark after his retirement from Simulations Plus, providing drug design, cheminformatics, and computational chemistry advisory services to smaller biotech and pharmaceutical companies.

Ownership category

akta.pro rank

Product category

Drug Discovery Consulting

NAICS

Scientific Research and Development Services (5417), Other Scientific and Technical Consulting Services (541690)

SIC

Services-Commercial Physical & Biological Research (8731)

akta.pro primary industry

Small-Molecule API Process Development & Route Scouting (HLAGAHAA)

akta.pro secondary industry

Chiral / Asymmetric Synthesis & Complex Chemistry Services (HLAGAHAE)

Keywords

• Computational chemistry consulting
• Cheminformatics consulting
• Molecular design services
• QSAR modeling services
• Drug discovery consulting

GTM type

B2B

Offering type

Services

Cost components

Personnel, Operations, Technology or R&D

Revenue model

1. Scientific Consulting Services: Research and consulting services provided to smaller biotech and pharmaceutical companies. Services include strategic investment guidance, molecular triage, method and model validation, outsourcing support, and customized CAMD (Computer-Aided Molecular Design) and QSAR training. Operates as a nonprofit consulting entity.

Go-to-market motion1 record

Distribution channels1 record

Marketing channels4 records

Core offering

Biochemical Infometrics provides senior scientific consulting in computational drug design to smaller biotech and pharmaceutical companies. Service lines include strategic investment guidance with critical due diligence, molecular triage of candidate compounds, independent method and model validation, outsourced molecular modeling support, and customized CAMD and QSAR training. Engagements are quote-based, project-driven, and delivered by founder Bob Clark drawing on 40+ years of cross-disciplinary experience across agrochemical and pharmaceutical discovery.

Product overview

Biochemical Infometrics is a nonprofit scientific consulting company founded by Dr. Bob Clark in 2008 and revived in April 2022 after his retirement from Simulations Plus. The company offers consulting services rather than packaged software products. Services include Strategic Investment Guidance, Molecular Triage, Method & Model Validation, Outsourcing, and CAMD & QSAR Training. The consulting draws on expertise in pharmacophores, QSAR & statistics, molecular diversity, library design, synthesis, biochemistry & biometrics, and predictive ADME/Tox. The company leverages software tools from Tripos, OpenEye, and BioPharmics in its consulting work but does not offer its own software products.

Differentiator

Problem solved

Functional benefit

Products and services

• Strategic Investment Guidance Senior advisory and due diligence support for smaller biotech and pharmaceutical companies evaluating financing, partnership, or technology-investment decisions in drug discovery, drawing on the principal's broad industrial and computational chemistry perspective.
• Molecular Triage External prioritization and assessment of candidate compounds to unblock stalled drug discovery projects, applying computational triage methods such as QSAR, pharmacophore, and ADME/Tox modeling to guide go/no-go decisions.
• Method & Model Validation Independent characterization and validation of new computational chemistry methods and predictive models, including assessment of predictive uncertainty (e.g., via DRESS-style estimation) so that clients can make informed investment decisions before major commitments.
• Outsourcing Molecular Modeling Support Part-time outsourced molecular modeling capacity for smaller biotech firms that lack in-house staff, enabling them to evaluate the value of computational chemistry before committing to permanent hires.
• CAMD & QSAR Training Customized training in Computer-Aided Molecular Design (CAMD) and Quantitative Structure-Activity Relationship (QSAR) methods, delivered by a co-inventor of foundational cheminformatics tools such as GALAHAD, OptiSim, topomers, TUPLET, and DRESS.

Quantifiable outcome

• Designed novel antimalarial 2-aminopropylaminoquinolones through coupling HTPK simulation to multi-objective molecular evolution that were subsequently synthesized and tested, demonstrating prospective predictive validity.
• +2 more outcomes

Named customers7 records

Segments3 records

Ideal customer profiles3 records

Technology focussed No

API detail

Has API

No

API docs

API detail

Core technology

AI maturity

App detail

Feature8 records

Partnerships

Twelve partnerships are on record, tiered core and minor.

• Simulations Plus, Inc.coreStrategic or Co-development Partner · 1 January 2010Bob Clark served as Director of Life Sciences at Simulations Plus from January 2010 to March 2022, also holding Director of Cheminformatics, Sr. Research Fellow, and Emeritus Fellow roles. Led research teams for GastroPlus, MembranePlus, MedChem Studio, and ADMET Predictor. Led collaborative projects including antimalarial aminoquinolone derivatives and AI-driven drug design proof-of-concept with a major pharmaceutical company.
• Indiana University Bloomington (Luddy School of Informatics, Computing and Engineering)minorStrategic or Co-development Partner · 1 January 2006Bob Clark has held an Adjunct Professorship in Informatics at Indiana University Bloomington since January 2006, providing opportunities for collaboration and exploration of new approaches to molecular design problems.
• Biovitrum ABminorStrategic or Co-development Partner · 1 January 2003Collaboration (2003-2004) to develop GALAHAD as a successor to the GASP program for pharmacophore elucidation. GALAHAD splits the alignment problem into alignment in internal coordinate space using a novel genetic algorithm and subsequent alignment in Cartesian space.
• University of Sheffield (Peter Willett's laboratory)minorStrategic or Co-development Partner · 1 January 2002Direction provided to Dr. Nicola Richmond for Tripos-funded post-doctoral work (2002-2004). Led to development of the LAMDA alignment program combining linear assignment methodology with incremental build-up of hypermolecular templates.
• Novo Nordisk A/SminorStrategic or Co-development Partner · 1 January 2001Collaboration (2001-2003) developing fast pharmacophore multiplet (TUPLET) technology for analyzing relationships between pharmacophoric substructures in ligands, with novel bitmap encoding and stochastic cosine similarity measure.
• Parke-DavisminorStrategic or Co-development Partner · 1 January 2000Collaboration (2000-2003) developing selection, clustering and visualization tools for lead triage in drug discovery, leading to the HTS DataMiner program. Separate 2002 collaboration produced the OptiDock combinatorial docking program combining OptiSim selection with FlexX.
• Pfizer, Inc.minorStrategic or Co-development Partner · 1 January 1998Collaboration (1998-2001) to develop a genetic algorithm where each chromosome represents a UNITY flexible 3D search query. Successfully generated ensembles of complementary partial-match queries from HTS data. CSCORE consensus scoring program grew out of this collaboration.
• Kalexsyn, Inc.coreStrategic or Co-development PartnerSynthesis partner for the successful design, preparation and testing of novel antimalarial aminoquinolone derivatives. Collaboration involved testing against live parasites at UC Riverside and GlaxoSmithKline Tres Cantos labs under Medicines for Malaria Venture (MMV) aegis.
• University of California, RiversidecoreStrategic or Co-development PartnerTesting partner for novel antimalarial aminoquinolone derivatives against live parasites. Part of the collaborative antimalarial drug design program.
• GlaxoSmithKline (Tres Cantos labs)coreStrategic or Co-development PartnerTesting partner for novel antimalarial aminoquinolone derivatives against live parasites under the aegis of the Medicines for Malaria Venture (MMV).
• Medicines for Malaria Venture (MMV)coreStrategic or Co-development PartnerNonprofit partnership funding and supporting the antimalarial aminoquinolone derivatives design program involving Kalexsyn, UC Riverside, and GlaxoSmithKline.
• Tripos InternationalcoreStrategic or Co-development PartnerBob Clark worked at Tripos (June 1994 – June 2008) as Sr. Scientist, Director of Research, and VP of Science & Research. Led the Informatics Research Center developing computational methods for small molecule discovery. Numerous collaborative projects with academic and industrial partners arose from this position including those with Biovitrum, Sheffield, Novo Nordisk, Parke-Davis, and Pfizer.

Scale indicators1 record

Recent moves5 records

Expansion highlights4 records

Broad incumbents

• Dotmatics: Scientific R&D informatics platform (Dots, Studies, Inventory) widely used by small-to-mid biotech and pharma. Broader incumbent whose cheminformatics and data-management capabilities overlap Biochemical Infometrics' consulting and training scope.
• Simulations Plus: Provider of ADMET Predictor, GastroPlus, and MonolixSuite for model-informed drug development; Bob Clark spent 12 years there and led the research behind several of these products. Closest direct institutional peer given shared cheminformatics/ADME/Tox DNA, though operating at vastly greater scale.
• Certara: Model-informed drug development services and software (Phoenix, Simcyp) covering PBPK and regulatory science. Broad incumbent with adjacent ADME/Tox and DMPK capabilities overlapping Clark's consulting scope.
• Schrödinger, Inc. Leading computational chemistry platform provider for molecular design, with products spanning FEP+, LiveDesign, and BioLuminate that directly overlap the cheminformatics capabilities Biochemical Infometrics consults on. A broader incumbent offering integrated software that subsumes many methods Bob Clark co-invented.

Direct peers

• Molecular Discovery: Computational chemistry firm offering VOLSURF, Pentacle, and ALMOND tools for molecular interaction fields and pharmacophore analysis. Direct peer in cheminformatics methodology and the same clientele of smaller biotech and pharma groups.
• Chemical Computing Group (CCG): Developer of the MOE (Molecular Operating Environment) suite for computational chemistry and cheminformatics. Direct peer offering integrated platforms for pharmacophore elucidation, QSAR, and molecular design comparable to Bob Clark's consulting domain.
• OpenEye Scientific (Cadence Molecular Sciences): Computational chemistry software vendor providing the OpenEye toolkit used in Biochemical Infometrics' consulting work. Direct peer in cheminformatics methodology (conformer generation, shape/electrostatics, pharmacophore tools).
• Cresset: Computational chemistry company offering ligand-based design tools (Flare, Spark, Torch) and consulting services that directly overlap cheminformatics/pharmacophore/scaffold-hopping work central to Biochemical Infometrics.
• Collaborative Drug Discovery (CDD): Provider of CDD Vault, a drug discovery informatics platform serving small biotech and academic groups with cheminformatics capabilities directly relevant to Biochemical Infometrics' smaller-biotech client segment.
• Pharmacelera (formerly Seven Past Nine): Cheminformatics and computational drug design company offering PharmScreen and PharmacophorePCE plus consulting services. Direct peer combining cheminformatics tools and custom computational chemistry consulting for smaller drug-discovery organizations.

Market position

Strengths5 records

Weaknesses5 records

Competitive moat4 records

Key risks5 records

Key highlights6 records

Customer concentration

Revenue estimate

Valuation estimate

Number of profiles

Profiles1 record

Funding overview

Funding rounds

Investors

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 Biochemical Infometrics