The computational laboratory to accelerate innovation of sustainable chemicals
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Molecular modeling
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Artificial intelligence
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High Performance Computing
With increasing innovation and sustainability requirements, we help you to accelerate your chemical R&D
Adapt faster to coming regulations
Meet customers’ requirements
Shorten time to market
File more patents
Reduce carbon footprint
Speed up green and digital transition
NEXTMOL Lab: Computational chemistry at your fingertips
NEXTMOL Lab is our Software-as-a-Service platform for molecular design that accelerates the development of new molecules and formulations.
It predicts chemical properties by using a combination of molecular modeling and artificial intelligence in an easy-to-adopt software specifically designed for chemists.
Characterize molecules directly on the computer (without synthesizing them)
Carry out automated high-throughput screening
Understand the relevant chemical space
Get key insights about the molecule mode of action
Predict physico-chemical properties
Identify structure-activity relationships
Only the most promising molecules go to the lab
Guides and complements the experimental work
Reduces time, cost and R&D risk
Polymers
- Homopolymers and copolymers
- Complex polymers and polymer blends
- Traditional and bio-based polymers
- Wide range of thermodynamic conditions
Surfactants
- Wide range of surface and interface phenomena
- Adsorption affinity
- Formation of self-assembled surface films and micelles
- Collective effects of adsorbed molecules
Join the digital transformation
The in silico testing via molecular modeling and AI allows for a faster R&D of new ingredients and formulations compared to purely experimental approaches in the lab.
Trusted and supported by
Resources
Predicting the Glass Transition Temperature of Biopolymers via High-Throughput Molecular Dynamics Simulations and Machine Learning
April 11, 2024 | Tags: Publication
Blog
Data-driven discovery of new chemicals
January 28, 2025
Blog
In silico evaluation of asphaltene inhibitor performances
July 23, 2024
Resources
Case study: Molecular Modeling of Lubricant Additives
February 19, 2021 | Tags: Case study
News
Nextmol successfully completes funding round to drive green and digital transformation in the chemical industry
May 28, 2024 | Tags: Funding
Funding:
Awards:
Start creating new, better performing and more sustainable chemicals with NEXTMOL Lab