Compare Iktos vs. Schrödinger

Makya stands out as the pioneering user-centric SaaS platform dedicated to AI-enhanced de novo drug design, particularly emphasizing Multi-Parametric Optimization (MPO). This innovative tool empowers users to create novel and easily synthesize compounds based on a multi-objective framework, achieving unprecedented levels of speed, efficiency, and variety. Makya incorporates a range of generative algorithms tailored to various stages of drug development, from hit discovery to lead optimization; it includes a fine-tuning generator for pinpointing ideal solutions within your specified chemical landscape, a novelty generator designed to explore fresh concepts for re-scaffolding and hit discovery, and a forward generator to create a targeted library of compounds that can be readily synthesized from commercially available starting materials. The recently introduced Makya 3D module significantly improves both the user interface and the scientific capabilities of the platform. With a comprehensive array of 3D modeling functionalities available for both ligand-based and structure-based approaches, Makya 3D allows for the calculation of 3D scores, which can be seamlessly utilized to guide compound generation within the platform. This integration not only enhances the design process but also offers researchers deeper insights into their molecular designs.

Revolutionize the fields of drug discovery and materials research through cutting-edge molecular modeling techniques. Our computational platform, grounded in physics, combines unique solutions for predictive modeling, data analysis, and collaboration, facilitating swift navigation of chemical space. This innovative platform is employed by leading industries globally, serving both drug discovery initiatives and materials science applications across various sectors including aerospace, energy, semiconductors, and electronic displays. It drives our internal drug discovery projects, overseeing processes from target identification through hit discovery and lead optimization. Additionally, it enhances our collaborative research efforts aimed at creating groundbreaking medicines to address significant public health challenges. With a dedicated team of over 150 Ph.D. scientists, we commit substantial resources to research and development. Our contributions to the scientific community include more than 400 peer-reviewed publications that validate the efficacy of our physics-based methodologies, and we remain at the forefront of advancing computational modeling techniques. We are steadfast in our mission to innovate and expand the possibilities within our field.