Science Moves Fast — so do we and our predictions!
Predictive Science & Digital Acceleration with Precision
Predictive Science & Digital Acceleration with Precision
Predictive Science & Digital Acceleration with Precision
At Axleres Biosciences, we bring together cutting-edge AI/ML algorithms, physics-based modeling, and domain expertise to accelerate discovery and development across modalities .
Our in-silico and computational capabilities enable faster decision-making, smarter candidate selection, and reduced experimental rework across the discovery and development continuum.
High-Throughput Virtual Screening & Molecular Design
Predictive Science & Digital Acceleration with Precision
Predictive Science & Digital Acceleration with Precision
Ultra-scale virtual screening of up to multi trillion molecules
Generative AI/ML for de novo design, scaffold hopping, and molecular novelty
AI-powered property prediction for early prioritization
Hit-to-Lead & Lead Optimization
Predictive Science & Digital Acceleration with Precision
Chemical Synthesis & Route Prediction
ML-assisted SAR modeling and multi-parameter optimization
Advanced Free Energy Perturbation (FEP) for accurate binding affinity predictions — effective for peptides, macrocycles, covalent inhibitors, and more
In silico ADMET, PBPK, and DMPK profiling to minimize downstream attrition
Chemical Synthesis & Route Prediction
Formulation Development & Stability Prediction
Chemical Synthesis & Route Prediction
Generative AI for retrosynthesis planning, impurity prediction, and process chemistry feasibility
AI-assisted impurity fate and purge prediction
Formulation Development & Stability Prediction
Formulation Development & Stability Prediction
Formulation Development & Stability Prediction
AI-based formulation design, excipient compatibility, and drug–drug/excipient interaction prediction
Stability modeling to support preclinical and clinical formulation strategies
Crystal Structure & Polymorph Risk Prediction
Formulation Development & Stability Prediction
Formulation Development & Stability Prediction
Accurate in silico methods for ligand crystal structure prediction, including free base, salt, hydrate, and co-crystal forms
Tools to assess polymorphic risk early on and guide solid-form selection
What This Means For You
- Faster candidate triage and prioritization
- Reduced wet-lab iterations through predictive modeling
- Early identification of risks in synthesis, bioavailability, and formulation
- Smarter regulatory and IP strategies based on high-confidence data
- Seamless integration with your existing workflows — supported by our scientific and project management team
Whether you're in early-stage screening or late-stage optimization, our AI/ML and in-silico offerings act as your Digital Companion— increasing confidence, compressing timelines, and making your science more predictable.