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Start here — in plain words

Affinix uses a computer to find a chemical that can kill fruit flies. You do not run the science yourself — the computer picks, a lab tests, the result comes back here. Everything on this page is pulled live from the Affinix backend.
1
Look at the top chemical

The strongest one is ranked #1 under Binding energy. Lower number = sticks stronger. Right now that is flufenoxuron. It is a candidate to test — not a proven killer.

2
Ask the chat

Tap the blue button, bottom right. Ask normal questions like “Is it safe for bees?” It answers only from Affinix backend data — if it does not know, it says so.

3
Send the plan to a lab

Pick a chemical in Lab protocol below. That is the 7-step test plan a lab runs for you. Their result goes back into the backend and the ranking learns.

Folder · Fruit Flies

One liquid. Two jobs.

One bottle for the Oriental fruit fly (Bactrocera dorsalis). It should kill the flies that are here now, and stop the next ones from growing up. Same liquid underneath — for the farm, for the home, and for trash, where flies breed.

First check: can one molecule do both? No.

Live from /dual-action: NO — no single proven molecule does both fast adult kill and slow growth inhibition for this fly. Our slow molecules — the benzoylureas, like flufenoxuron — only stop young flies from growing. They do not kill adult flies fast. So one molecule is not enough. The plan is a blend of two, in one liquid.

Lead blend to test — one bottle, two molecules inside

Live from /blend and /dual-action. This is a blend to test in a lab. It is not proven yet. Nothing here has been run on live flies as a blend.
SLOW
Novaluron — stops growth

Hits chitin — the stuff a young fly needs to make its skin. The young fly cannot grow up. Docking −10.694 against BdCHS2 (rank 5, best pest-vs-bee selectivity of the top 10: 1.82). ChEMBL CHEMBL1869031. This is the long-term job: no next wave of flies.

FAST
Spinosad — kills adults fast

Hits the fly's nerves — the nAChR alpha 6 target (M4H3L1). Literature, not computed: LC50 at 5 hours = 9.03 ppm, LT50 under 2 hours at 100 ppm (McQuate 2005, B. dorsalis, protein bait). Its docking into the chitin pocket BdCHS2 is only −7.717 — expected, because its real target is the nerve, not chitin. ChEMBL CHEMBL4297065.

BACKUP
Backup blend: novaluron + indoxacarb

Keeps novaluron for the slow job and swaps in indoxacarb for the fast job — it blocks the voltage-gated sodium channel. Docking into BdCHS2 −8.770 (again, its real target is the nerve). This pair is a proven formulation for caterpillars (ADAMA Plethora, novaluron 5.25% + indoxacarb 4.5%) — not proven for B. dorsalis. Also docked, not in a blend: spinetoram −6.488 — worse than the sucrose negative control (−6.864), so no chitin-pocket fit at all.

Bees — do not call this bee-safe. Spinosad is highly toxic to bees while wet — contact LD50 0.0029 µg/bee, oral LD50 0.057 µg/bee. Risk window about 3 hours after spraying, up to 1–4 days in some guidance. Mitigation to test, not a safety claim: evening application, let it dry, bait stations instead of open spray on flowers.

Blend protocol — live from /protocol-blend

Mixing, in plain words: both molecules go in the same liquid, each at the same dose it gets when tested alone — that is how the lab can tell if the blend truly beats each single. There is no fixed ratio in the backend: the lab picks the 5-dose range and the route (treated diet / protein bait, or contact spray) and records it. Spinosad's fast numbers come from a protein-bait test, so bait liquid is the lead route to test first.

Blend protocol — lead (novaluron + spinosad)

A plan for a lab to run — no blend has been tested on live insects by Affinix yet.
  1. 4 arms, same doses: A slow alone, B fast alone, C blend, D solvent control — 30 flies per group, 3 groups per dose
  2. Count dead at 1, 2, 5 and 24 hours, then daily to day 7
  3. Pass fast: at least 50% dead by 24 hours in B and C • Pass slow: at least 50% more egg-hatch / moult failure vs control by day 7 in A and C
  4. Run honeybees in parallel at the same doses
Use 1

Farm

The problem: A female fly lays eggs inside fruit. The fruit rots from inside and cannot be sold. One bad shipment can also be turned away.

How the liquid helps: Put out early, in bait stations in the orchard. Adults die fast, so they stop laying eggs. Young flies do not grow up, so the flies do not come back week after week.

What matters most here: It must keep working for weeks, and bees must be protected — bait stations, not open spraying while bees are feeding.

Use 2

Home

The problem: Flies around bananas, the kitchen, and the bin. You see a fly now, and you want it gone now — not next week.

How the liquid helps: A small bait liquid in the kitchen. The fast part kills the flies you can see. The slow part stops eggs already laid from turning into a new wave.

What matters most here: It has to feel like it works on day one, and it must be kept away from food, kids, and pets, in a closed bait station.

Use 3

Trash

The problem: Bins and waste areas are where flies breed. Kill only the adults you see, and more hatch tomorrow.

How the liquid helps: Bait liquid in and around the bin area. Adults feeding there die fast. Young flies in the waste do not grow up, so the bin stops making new flies.

What matters most here: It has to be cheap, simple, and topped up easily — this is the everyday, repeat use.

Dual-action lab test plan

One test, four groups. This is how a lab finds out if the blend really does both jobs — or if one part is doing all the work. Same flies, same doses, same days for every group. Count dead adults in the first hours and days, then count how many young flies grow up over the full test.

GROUP 1
Slow alone — novaluron only

Should stop young flies from growing up, but should not kill adults fast. If adults die fast here, something is wrong with the test.

GROUP 2
Fast alone — spinosad only

Should kill adults in hours. Watch whether flies come back later — with no slow part, the next wave should still grow up.

GROUP 3
The blend — novaluron + spinosad

The one that must do both: adults dead fast, and no next wave after. This group has to beat groups 1 and 2 together, not just one of them.

GROUP 4
Control — no chemical

Plain liquid, nothing in it. This is the honest baseline. Every other group is judged against this one — no control, no proof.

Pass rules (from /dual-action): Fast half passes if groups 2 and 3 kill at least 50% of adults by 24 hours. Slow half passes if groups 1 and 3 show at least 50% more egg-hatch / moult failure than control by day 7. Dual action is proven only if the blend passes both and beats each single group on its weak half. Run bees alongside, in parallel — same doses on honeybee workers; bee-safe only if bee deaths stay within 10% of control at the fruit-fly dose. Next step: send this four-group plan to a lab with the blend. Until that test runs, this folder is a plan to test — not a proven product.

U
BdCHS2
S4TK66 • UniProt • loading…
Ch
ChEMBL
Diflubenzuron • CHEMBL49338 • live from /chembl
Live
PDB
ESMFold structure
Residues 524–905 • loading…
Live

Binding energy

Live from /dock
Flufenoxuron-11.093
Bistrifluron-10.881
Fluazuron-10.842
Glucose (negative control)weaker than all positives
One docking run into the real BdCHS2 structure — not a time series. ESMFold pLDDT 90.1, residues 524–905.
−11.09
Best docking — Flufenoxuron (kcal/mol)
Docking PASS • Mean positive −10.336 vs negative −6.273 • Gap 4.063 • PLAPT still FAILS — no molecule is TRUSTWORTHY yet

Top candidates

Flufenoxuron
−11.093 kcal/mol
Ch
Bistrifluron
−10.881 kcal/mol
PDB
Fluazuron
−10.842 kcal/mol

Ranked by docking into real BdCHS2

1. Flufenoxuron — −11.093
2. Bistrifluron — −10.881
3. Fluazuron — −10.842
Structure: residues 524–905 • ESMFold pLDDT 90.1 • Library: 64 molecules from PubChem

Top 10 — full ranking

Live from /rank
#MoleculeFormulaDockingBee dockingPLAPTStatus
1FlufenoxuronC21H11ClF6N2O3−11.093−9.4855.396CANDIDATE
2BistrifluronC16H7ClF8N2O2−10.881−9.3045.144CANDIDATE
3FluazuronC20H10Cl2F5N3O3−10.842−10.0335.137CANDIDATE
Docking and bee docking in kcal/mol (lower = sticks stronger). PLAPT is −log10 affinity — PLAPT FAILED validation, so its scores do not pick winners. Every molecule here is a candidate for a lab test, none is proven.
Fast-half candidates, docked into BdCHS2 by /blend (not in the Top 10 — their real targets are nerves, not chitin): indoxacarb −8.770 • spinosad −7.717 • spinetoram −6.488. Both spinosad and indoxacarb are in the protocol picker below.
ChEMBL records (fixed in backend v1.4.0, live from /chembl): Diflubenzuron CHEMBL49338 (C14H9ClF2N2O2) • Novaluron CHEMBL1869031 (C17H9ClF8N2O4) • Spinosad CHEMBL4297065 (C83H132N2O20) • Flufenoxuron CHEMBL2287680 (C21H11ClF6N2O3) • Bistrifluron — no ChEMBL record (backend returns 404, honestly)

The two scores, in plain words

Why one is trusted more than the other

Docking — the fit test PASSED

The computer takes the real shape of the fly's chitin protein (BdCHS2) and tries to fit each molecule into it, like a key into a lock.

Lower number = sticks stronger. Measured in kcal/mol. Flufenoxuron is −11.093, the strongest fit.

It passed its honesty check: real killers scored far stronger than sugar controls — a gap of 4.063. So docking is the score we rank by.

PLAPT — the guess test FAILED

A different computer model guesses how strongly a molecule binds, just from the molecule and protein written out as text — no real shape.

Higher number = stronger guess — the opposite direction from docking, which is why the two columns look confusing side by side.

It failed its honesty check: glucose — plain sugar, a known non-killer — scored highest of all, and the gap between killers and controls was only 0.115. So PLAPT scores are shown for honesty only. They do not pick winners.

Uncertainty — how unsure we are

A number from 0 to 1. 1.00 means the two tests completely disagree — glucose is 1.00 because PLAPT loved it and docking did not. The benzoylureas sit at 0.80.

High uncertainty is not bad news — it marks the molecules where one real lab result teaches us the most. That is why the “Test these first” list is ranked by uncertainty, not by score.

What “trustworthy” would take: a second test that passes its honesty check on this protein, agreeing with docking — plus a real lab result. Until then: TRUSTWORTHY: NONE.

Screening frequency

Last 28 days
MonTueWedThuFriSatSun
No tests × More tests
0
Affinix lab tests run
No Affinix lab test has been run yet. The rows under Lab results are literature, not our tests. Next: use the protocol below.

Test these first — most to learn

Live from /learn
1.00
Glucose
Uncertainty 1.00 — PLAPT says positive, docking says negative. Testing it teaches the most.
0.80
Benzoylureas (all 10)
Uncertainty 0.80 — PLAPT failed globally and disagrees with docking on each one.
Uncertainty 0–1. The most uncertain molecules teach the most — one lab result on them updates the whole ranking.

Top binding pockets

i Pocket is from BdCHS2 itself — EDR, QRRRW and DGD motifs. Full pocket data is only available once a lab test is run.
i Docking pocket: centroid of BdCHS2 catalytic motifs EDR 804, QRRRW 841, DGD 700, 24 Å box — from /dock.

Bee safety & lab protocol

i Bee safety is UNKNOWN for all candidates. Bees have chitin synthase too (A0A7M7IIL6, 210 aa fragment folded, pLDDT 89.7). A bee test must run alongside the fly test.

Lab protocol — live insect test

Pick a molecule and load its real 7-step plan from /protocol. This is a plan for a lab to run — nothing here has been tested on live insects yet.
  1. 30 flies per group, 5 doses, plus control
  2. Count dead every 24 hours for 7 days
  3. Pass if mortality is 50% higher than control and dose response is clear
  4. Run the same doses on honeybees in parallel
  5. Post the result to /results so the ranking learns
Bee safety for the selected molecule loads with the protocol.
Picker includes the fast half too: spinosad and indoxacarb. The backend's /protocol only covers the 13 scored molecules, so the spinosad and indoxacarb plans are built live from /blend + /dual-action — with fast timing: dead counted at 1, 2, 5 and 24 hours, not just day 7. Blend plans (lead and backup) are in the Fruit Flies folder above, from /protocol-blend.

Lab results

Live from /results
Loading…
Reading the results table from the backend.
Literature rows are labelled — they are NOT Affinix lab tests. No Affinix lab test has been run yet. The All / Last 7 days switch at the top filters this list by result date.

Safety ranges

0.115
Pest PLAPT gap — BdCHS2
FAIL
0.187
Bee PLAPT gap — A0A7M7IIL6
FAIL
0.015
Human PLAPT gap — HAS2
FAIL
Pest — BdCHS2 Bee Human
PLAPT gaps — Pest 0.115 FAIL • Bee 0.187 FAIL • Human 0.015 FAIL  •  Backend: affinix-labs-api.chideraezeudu2.workers.dev • v1.4.0
Affinix AssistantLive • answers only from the Affinix backend