Select your Country or Region

  • TargetMol | Compound LibraryArgentinaArgentina
  • TargetMol | Compound LibraryAustraliaAustralia
  • TargetMol | Compound LibraryAustriaAustria
  • TargetMol | Compound LibraryBelgiumBelgium
  • TargetMol | Compound LibraryBrazilBrazil
  • TargetMol | Compound LibraryBulgariaBulgaria
  • TargetMol | Compound LibraryCroatiaCroatia
  • TargetMol | Compound LibraryCyprusCyprus
  • TargetMol | Compound LibraryCzechCzech
  • TargetMol | Compound LibraryDenmarkDenmark
  • TargetMol | Compound LibraryEgyptEgypt
  • TargetMol | Compound LibraryEstoniaEstonia
  • TargetMol | Compound LibraryFinlandFinland
  • TargetMol | Compound LibraryFranceFrance
  • TargetMol | Compound LibraryGermanyGermany
  • TargetMol | Compound LibraryGreeceGreece
  • TargetMol | Compound LibraryHong KongHong Kong
  • TargetMol | Compound LibraryHungaryHungary
  • TargetMol | Compound LibraryIcelandIceland
  • TargetMol | Compound LibraryIndiaIndia
  • TargetMol | Compound LibraryIrelandIreland
  • TargetMol | Compound LibraryIsraelIsrael
  • TargetMol | Compound LibraryItalyItaly
  • TargetMol | Compound LibraryJapanJapan
  • TargetMol | Compound LibraryKoreaKorea
  • TargetMol | Compound LibraryLatviaLatvia
  • TargetMol | Compound LibraryLebanonLebanon
  • TargetMol | Compound LibraryMalaysiaMalaysia
  • TargetMol | Compound LibraryMaltaMalta
  • TargetMol | Compound LibraryMoroccoMorocco
  • TargetMol | Compound LibraryNetherlandsNetherlands
  • TargetMol | Compound LibraryNew ZealandNew Zealand
  • TargetMol | Compound LibraryNorwayNorway
  • TargetMol | Compound LibraryPolandPoland
  • TargetMol | Compound LibraryPortugalPortugal
  • TargetMol | Compound LibraryRomaniaRomania
  • TargetMol | Compound LibrarySingaporeSingapore
  • TargetMol | Compound LibrarySlovakiaSlovakia
  • TargetMol | Compound LibrarySloveniaSlovenia
  • TargetMol | Compound LibrarySpainSpain
  • TargetMol | Compound LibrarySwedenSweden
  • TargetMol | Compound LibrarySwitzerlandSwitzerland
  • TargetMol | Compound LibraryTaiwan,ChinaTaiwan,China
  • TargetMol | Compound LibraryThailandThailand
  • TargetMol | Compound LibraryTurkeyTurkey
  • TargetMol | Compound LibraryUnited KingdomUnited Kingdom
  • TargetMol | Compound LibraryUnited StatesUnited States
  • TargetMol | Compound LibraryOther CountriesOther Countries
Shopping Cart
  • Remove All
  • TargetMol
    Your shopping cart is currently empty
HomeTechnical Services AI-driven Ultra High-throughput Virtual Screening
Targetmol | AI-driven Ultra High-throughput Virtual Screening

AI-driven Ultra High-throughput Virtual Screening

Drug potential with AI unlocked. Large-scale data screening streamlined.

Inquiry
ADVANTAGES
TargetMol | Experienced Team
Expert-led Team
Our team of seasoned experts offers high-quality and innovative drug discovery solutions.
TargetMol | High Throughput
Extensive Experience
Years of practical experience deliver reliable and precise drug development results.
TargetMol | Cost Effective
Proprietary Algorithms
Utilize self-developed AI algorithms for ultra-high precision and discovery capabilities.
TargetMol | Time Efficient
Fast screening
Accelerate your research with lightening-fast screening powered by AI.
TargetMol | AI-Aided Drug Discovery

AI-Aided Drug Discovery

Provided by TargetMol
Inquiry

AI Boosts Large-Scale Virtual Screening

The success of virtual screening is closely tied to the scale of the compound library. A larger compound library offers more diverse chemical structures, increasing the likelihood of including compounds with affinity for a given target. However, virtual screening based on molecular docking requires significant computational resources, making it impractical to perform virtual screening on such a massive compound library using conventional hardware platforms.
AIDD (Artificial Intelligence in Drug Discovery) can accelerate virtual screening without compromising computational accuracy.

AI Boosts Large-Scale Virtual Screening
TargetMol | Molecular Docking Workfolw
The PLANET model (Protein-Ligand Affinity prediction NETwork) takes the graph-represented 3D structure of the binding pocket on the target protein and the 2D chemical structure of the ligand molecule as input. This significantly accelerates virtual screening. Our team employs the PLANET model for the initial screening. Subsequently, the top 1-5% of compounds are subjected to further screening using molecular docking method.

*Comparison of GLIDE and PLANET for screening 19 million compounds

Advantages of “PLANET”

1. The time to take to screen certain amounts of compound database

Number of compoundsScreening period
19 million2-3 weeks
48 million4-6 weeks
6 billion12-16 weeks

2. High precision & success rate

TargetsNumber of moleculesEF 0.1%EF 1%EF 5%EF 10%
BRD4573929.423.710.56.5
HER2208038.520.910.16.4
BCL2946540.280.617.48.9
ACE215333.36013.66.7
Spike Glycoprotein23695.673.918.39.6
TargetMol | AIDD

PLANET paves the way, like a speedy train, Fast-tracking cures, no need to explain.

TargetMol | TargetMol Technology ServicesContact us