Insilico Medicine and Inimmune are joining forces to advance immunotherapeutic discovery.

Insilico Medicine (“Insilico”), a clinical-stage artificial intelligence-driven biotechnology company, announced today it has secured an impressive collaboration agreement with Inimmune that utilizes Chemistry42 — Insilico’s own AI technology — to speed the discovery and development of next generation immunotherapies.

Chemistry42, a multiagent reinforcement learning system created with medicinal chemists in mind, addresses some key challenges associated with small molecule drug discovery such as novelty, diversity, property prediction and multiparametric optimization. Chemistry42 offers more than 42 advanced machine learning technologies including generative autoencoders, generative adversarial networks and evolutionary algorithms as well as 500 pre-trained models to generate drug molecules with custom physical-chemical properties from inception. Furthermore, Chemistry42 supports multidimensional features evaluation such as efficacy evaluation (pharmacological efficacy/metabolic stability/synthetic difficulty/ADME properties/selectivity of generated molecules).

At the outset of their collaboration, Inimmune utilized Chemistry42’s capabilities to overcome specific hurdles to drug discovery efforts. The platform’s ability to produce new template molecules and assess multiple key attributes – metabolic stability, synthetic difficulty and ADME properties (Absorption Distribution Metabolism Excretion) properties – proved indispensable. Chemistry42 provided Inimmune with an efficient means for quickly creating and screening molecules with high potential efficacy against targeted biological pathways, helping them quickly identify promising lead compounds. Synthetic feasibility assessments provided invaluable insight, helping Inimmune identify drug candidates which were both effective and synthetically accessible, further streamlining drug development processes. By harnessing Chemistry42’s capabilities, Inimmune was able to significantly hone its research strategies and decision-making, improving efficiency and precision during drug discovery efforts.

Inimmune’s expert chemists were quickly able to use Chemistry42 software and quickly provide insights toward novel compounds with improved potency and pharmacodynamic properties, leading to significant efficiency increases within its drug discovery pipeline. This collaboration established an excellent basis for ongoing collaboration, showing AI-powered platforms like Chemistry42 can bring incredible advantages when integrated into drug discovery pipelines; efficiency gains demonstrated this value as did generation of high-potential hit series from AI platforms used for drug research and development.

After successfully completing our trial and initial compound generation round, we have moved onto the synthesis and biological testing phase. Chemistry42 continues to enable us to efficiently prioritize compounds for synthesization while we look forward to expediting innovative vaccines and immunotherapies to unmet medical needs using transformative AI-driven approaches that streamline drug discovery while increasing compound quality.”
Ahmad Junaid, PhD. is currently working as the senior scientist of Inimmune Technologies Inc.

“Working with Inimmune has been an absolute delight,” stated Hugo de Almeida, PhD, Application Scientist and CADD Specialist of Chemistry42. It was immediately evident to Hugo that they are dedicated to using state-of-the-art tools in their efforts to discover novel compounds that improve patients’ lives, with interest shown towards AI/generative chemistry techniques which created excellent communication channels; we identified their challenges quickly while offering solutions which generated new ideas that hopefully resulted in future drug discoveries for them.

After experiencing success during their initial round of compound generation, Inimmune researchers plan to further optimize the Hit series identified by Chemistry42. Their goal is to refine these compounds through additional 2-3 rounds of iterative optimization focusing on improving desirable properties for potential advancement into subsequent rounds of synthesis and testing.

At Inimmune, its researchers will leverage Chemistry42’s advanced algorithms for fine-tuning various molecular attributes so as to ensure lead compounds possess optimal properties. Through using its capabilities, Inimmune’s researchers aim to overcome any hurdles related to SAR campaigns as well as increase overall druglike properties of assets currently held by Inimmune.

A key advantage of Chemistry42’s collaboration lies in its potential to significantly boost drug discovery processes. Traditional approaches, which often take too much time and money and result in numerous failures, often fall short on efficiency and effectiveness. AI/ML solutions like Chemistry42 offer promising solutions by rapidly producing compounds with desirable characteristics at speed for evaluation – speeding up drug discovery significantly while increasing your odds of finding successful therapeutic candidates more rapidly than before.

“Chemistry42’s cutting-edge technology allows us to further refine our lead compounds while meeting key challenges encountered during SAR campaigns, driving us one step closer towards developing innovative therapies for patients.” Alan Joslyn, PhD. is CEO at Inimmune Pharmaceuticals and notes their initial success: “With Chemistry42 on board we look forward to harnessing its cutting edge expertise for patient development efforts and ultimately creating innovative therapies.

In 2016, Insilico first proposed using generative AI for designing novel molecules in a peer-reviewed journal article, setting the groundwork for its commercially available Pharma.AI platform. Since then, Insilico has continued incorporating technical breakthroughs into Pharma.AI as it continues to cover biology, chemistry and clinical development applications; thanks to it they have nominated 18 preclinical candidates out of over 30 assets since 2021 using Pharma.AI while receiving approvals on 9 molecules.