Computational food science

Ancient
ingredients.
Modern
evidence.

Botanical ingredients from TCM, Ayurveda, and traditional food systems carry centuries of empirical use. We produce the molecular science that explains why they work.

i
Research intelligence for R&D and formulation decisions. For informational purposes only. Clients retain full responsibility for product claims and regulatory compliance.
Female hormone receptor panel · 7 targets
ERα
Estrogen Receptor Alpha
ERβ
Estrogen Receptor Beta
PR
Progesterone Receptor
AR
Androgen Receptor
GR
Glucocorticoid Receptor
TRα / TRβ
Thyroid Receptors
7
female hormone receptors screened per ingredient
0 → #
the only quantified baseline where none existed before
What we do

Centuries of tradition.
Molecular explanation.

Traditional medicine systems have documented the effects of botanical ingredients for thousands of years. Computational food science is how we begin to understand why, at the level of molecular interaction.

Luminae Research is a boutique computational food science consultancy. We screen botanical ingredients from TCM, Ayurveda, and other traditional health systems across a 7-receptor female hormone panel, producing structured binding intelligence and quantified evidence for wellness brands, ingredient developers, and R&D teams. All findings, regardless of signal strength, are reported and published. The dataset grows with every engagement.

Any number beats no number
For most botanical ingredients, no binding data exists at all. Even a moderate or low affinity score is a first quantified baseline where there was previously only absence. In a polypharmacological context, multiple compounds with moderate affinity can produce cumulative receptor engagement a single strong binder would not. Every result has value in context, and we report all of them.
Complete reporting
Independent screening, not just confirmation
We screen ingredients on our own research schedule driven by scientific interest and publish aggregate findings publicly. Clients access that dataset, request priority screens, or commission bespoke ingredient analyses. The findings are the same regardless of who funded the work.
Agnostic methodology
Female hormone biology, specifically
ERβ has approximately 38% of ERα's published research coverage. TRα has approximately 4%. Our panel is built around the receptors the literature underserves most, which is where quantified data creates the most novel contribution.
Underserved research gap
Services

Two ways to
work with us.

Research access for teams who want to stay ahead of the data, and bespoke analysis for specific ingredient questions.

Research access

Early access to our ingredient screens as we produce them, input into which ingredients we prioritize next, and first-look on findings before they enter the public dataset. Suited to teams who want ongoing visibility into emerging botanical evidence.

Priority accessDataset updatesIngredient input

Bespoke ingredient report

A full computational screen of a specific ingredient or ingredient panel across all 7 receptors, with confidence intervals, Monte Carlo coverage simulation, sensitivity analysis, and a formulation shortlist. All findings reported, regardless of signal direction.

ΔG + intervalsMonte CarloFull reporting

Ingredient exploration

Bring a biological question rather than a named ingredient. We identify which botanicals in our growing dataset most plausibly address your target receptor profile, and screen novel candidates if needed. Suited to early-stage formulation decisions.

Problem-firstDataset queryNovel candidates
Traditional botanical ingredients

Pharma-grade rigor,
applied to botanicals.

We ask a precise question for each ingredient: do its bioactive compounds physically fit the relevant hormone receptor in a way that predicts meaningful interaction, and with what probability? The pipeline is four steps, fully quantified at each stage.

01
Structural preparation
We work from experimentally resolved protein structures, the same crystal structures used in pharmaceutical lead discovery, preserving the geometry of each receptor's real binding pocket.
02
Compound screen
Each ingredient's known bioactives are computationally docked against every receptor in the panel. The result is a ranked binding energy for every compound-receptor pair across the full ingredient profile.
03
Deep-learning validation
Top-scoring pairs are re-evaluated using a biomolecular structure model trained on experimental data. This produces a structural confidence score alongside the binding energy, distinguishing plausible signals from statistical noise.
04
Intelligence synthesis
Results are contextualized against receptor pharmacology and existing literature, then packaged into a decision-ready report structured for R&D teams and scientific advisors.
Monte Carlo coverage simulation
For multi-compound ingredients, we run thousands of simulated scenarios across each compound's uncertainty range, producing a distribution of expected receptor coverage rather than a single number.
Confidence intervals and tail-risk
We report 90% credible intervals on binding predictions and flag the probability that a given ingredient fails to achieve meaningful affinity at a target receptor. The downside scenario matters as much as the point estimate.
Sensitivity analysis
Decomposition analysis identifies which compound in the panel is driving prediction uncertainty, focusing any follow-on validation investment where it changes the outcome most.
Research gap quantification
ERβ has approximately 38% of ERα's published research coverage. TRα has approximately 4%. We score each receptor by literature depth so your team understands where the evidence is thin and where opportunity exists.
Sample output

What the data
actually looks like.

Jujube bioactives × female hormone receptors · ΔG (kcal/mol)
CompoundReceptorΔGSignal
QuercetinERβ−8.4Strong
RutinERβ−7.9Strong
Betulinic acidERα−7.4Moderate
Oleanolic acidERβ−6.8Moderate
CoclaurineERα−6.5Moderate
SpinosinERβ−6.1Moderate
Deep validation · top hits with structural confidence scores
CompoundReceptorΔGConfidence
QuercetinERβ−8.40.89
CoclaurineERα−6.50.92
RutinERβ−7.90.84

Binding energy (ΔG) quantifies how favorably a botanical compound fits a hormone receptor's active site. The more negative the value, the more thermodynamically favorable the interaction.

A compound at ΔG of -9 kcal/mol binds roughly an order of magnitude more tightly than one at -7. Paired with a structural confidence score, it distinguishes predictions with strong geometric support from those requiring further investigation.

For most botanical ingredients, no binding data of any kind exists across the female hormone receptor panel. A weak score is still the first quantified number in a previously empty field. That is what makes the dataset novel, and what makes every result reportable regardless of direction.

Strong
ΔG below -8.0, high-priority for deep structural validation
Moderate
ΔG -6 to -8, meaningful in polypharmacological context
Weak
ΔG above -6, a quantified baseline where none previously existed
Luminae Research client engagement

For teams who start
with a biological question.

Supplement brands

Developing hormone-health or adaptogenic formulations and wanting structured molecular research on botanical ingredients, grounded in both traditional use and quantified computational evidence across the full receptor panel.

Functional food and beverage

Working with botanicals from TCM or Ayurveda and wanting a rigorous mechanistic picture of how their bioactive compounds may interact with female hormone receptors, reported fully regardless of what the data shows.

R&D and innovation teams

Starting from a biological problem rather than a named ingredient, and wanting to query a growing dataset of screened botanicals to identify which candidates have the most plausible mechanistic profile for your target.

Luminae Research consultation

A boutique computational food science consultancy at the intersection of quantitative methods, pharma-grade molecular modeling, and female hormone biology.

Luminae Research applies the predictive modeling techniques of pharmaceutical drug discovery to botanical and food ingredients with deep roots in traditional medicine. Where TCM, Ayurveda, and other systems have documented effects empirically over centuries, computational food science offers a molecular lens for understanding why.

Our methodology draws from quantitative finance and pharmaceutical research, applying probabilistic risk frameworks to ingredient decisions. Every engagement is built around transparent methodology and explicitly quantified uncertainty so your team knows exactly what the data supports.

Computational food science Quantitative risk methods Female hormone biology Preventative health Food as medicine

Start with a
sample report.

Tell us your ingredient focus or biological question and we will send a sample showing the depth and format of what you would receive. We will also indicate which service tier fits your situation best.