Services
Science CRO builds bespoke computational research programs for teams that require disciplined modeling, rapid iteration, and defensible conclusions. Our offerings span computational chemistry, bioinformatics and biochemistry, and applied physics and engineering, with methods selected to match the system under study, the evidentiary substrate, and the predominant risk profile. Each engagement begins with a structured scoping sprint in which the scientific question is formalized, assumptions are enumerated, and acceptance criteria are codified into a project charter with explicit milestones and reporting cadence.
Following chartering, we construct a reproducible computational framework tailored to the problem. This includes data ingestion and curation, model selection and parameterization, code development and compilation, environment specification, and validation against known constraints or benchmarks. Hypotheses are operationalized into testable simulations or analytical pipelines, and iterative analyses are performed to refine models in light of emergent discrepancies or sensitivities.
Deliverables consist not merely of figures or summary statements, but of decision-ready artifacts: annotated source code, structured datasets, parameter logs, uncertainty analyses, and a written technical report that distinguishes signal from artifact. The objective is not ornamental modeling, but reduction of epistemic and operational risk through transparent, computationally rigorous inquiry conducted as an external, accountable research partner.
Computational Chemistry
First-principles and statistical molecular modelling integrating DFT, molecular dynamics, and cheminformatics to elucidate structure–property relationships, quantify uncertainty, and generate testable predictions that substantively de-risk experiments.
Bioinformatics & Biochemistry
Integrative sequence–structure analysis and protein modelling that synthesizes evolutionary signals, structural constraints, and mutational hypotheses to clarify mechanism, prioritize variants, and systematically accelerate experimental decision-making.
Applied Physics & Engineering
Mechanistic modelling and simulation grounded in continuum theory and numerical methods to formalize assumptions, bound parameter space, and render complex physical systems quantitatively predictable, enabling defensible engineering and policy decisions.
Drug Discovery & Development
Target validation and mechanism assessment conducted in silico to iteratively refine hypotheses at a velocity unattainable in wet laboratories, informed by direct experience across drug discovery and development pipelines from early screening through preclinical strategy.
AI & Machine Learning
Artificial intelligence heralds a new phase of computing, restructuring inference, automation, and decision architectures; we provide the technical experience and strategic design necessary to construct robust projects dependent on coherent AI interfaces, hierarchy, and system structure.
IP & Regulatory & Business
Drafting and filing patents, conducting structured prior art searches, and prosecuting applications through examination, complemented by preparation of business and regulatory filings as required to align scientific innovation with durable IP and operational compliance.
Ancillary services
Beyond modeling, Science CRO pairs technical rigor with delivery assets that keep your stakeholders aligned, your IP protected, and your filings defensible. We coordinate review-ready patents, stakeholder-ready collateral, and regulatory/business packages so your collaborators can move confidently from discovery to deployment.
- • Patent composition and filing coordination documented alongside the modeling evidence base.
- • Executive summaries, technical manuscripts, and annotated data repositories tailored to diverse audiences.
- • Regulatory filings, pre-IND touchstones, and business disclosures informed by our computational roadmap.
Intellectual property
Drafting-ready descriptions, claim language support, and patent filing checklists rooted in our modeling outputs.
Research artifacts
Executive summaries, technical whitepapers, and curated data repositories for investors, regulators, and internal reviewers.
Regulatory & business filings
Regulatory narratives, submission-ready tables, and business disclosures framed by our validated science.
Computational Chemistry
Quantum chemistry
First-principles predictions of structure, energetics, spectra, and reaction mechanisms.
Molecular dynamics
Time-dependent insights into conformations, bindings, stability, and thermodynamics and kinetics.
QSAR machine learning
Translations of structure-property data into predictive maps of potency and developability.
Cheminformatics
Informatics at scale through representation, search, and reaction-aware analytics for triage and libraries.
Bioinformatics & Biochemistry
Protein structure prediction
Comparative modeling to produce a 3D structure for experimental planning and biologic design.
Biomolecular molecular dynamics
An ensemble view of conformations, flexibilities, functions, and motions for decision-useful predictions.
Mutational analysis and protein engineering
Substitutions and sequence variants for improved stability, activity, specificity, and expression.
Mechanistic and interaction modelling
Electrostatics, free-energy, and QM/MM to quantify the energetic determinants of function and reactivity.
Applied Physics & Engineering
Continuum and field-based simulation
CFD and electromagnetic or elastic PDE solvers to predict spatiotemporal fields from first principles for performance, safety margins, and design.
Multiscale and reduced-order modeling
Tractable surrogates that preserve dominant mechanisms, enabling rapid parameter sweeps, uncertainty quantification, and real-time decision support.
Statistical physics and stochastic simulation
Equilibrium distribution methods for phase behavior, fluctuation-driven effects, and macroscopic observables inferred from microscopic rules.
Inverse problems and data assimilation
Integrated models to infer latent parameters, calibrate predictive systems, and generate defensible forecasts with explicitly quantified uncertainty.