From interpretive expertise to multimodal analytical inference Summary Determining a molecule’s configuration, or resolving its enantiomers on a column, has traditionally meant comparing experimental data against a computed reference a process gated by quantum chemistry and by expert judgement. Machine learning is now compressing that comparison from hours to seconds and, in chiral chromatography, is …
Why chirality has to be built into a molecular representation before any model can learn it Episode 1 of 5 Summary Two enantiomers can differ by an order of magnitude in potency, yet to most molecular machine learning models they are the same molecule. This is not a data problem that more training examples will …
Episode 1: Teaching Machines Molecular Handedness Read More »
When a Biaryl Bond Became a Drug-Design Advantage—and a Development Challenge Introduction: What if a “rotatable bond” could influence the fate of a drug? I recently came across a fascinating perspective written by scientists directly involved in the development of sotorasib, a KRAS G12C inhibitor exhibiting atropisomerism. Their article, “Addressing Atropisomerism in the Development of …
The pharmaceutical meaning of chirality, the real impurity space, and where chiral HPLC fits The pharmaceutical meaning of chirality Chirality matters in drug development for a simple reason. Biological systems are chiral, so the body does not experience two stereoisomers as the same molecule. FDA stated this explicitly in its landmark 1992 stereoisomer guidance, noting …
Episode 1: Why Chirality Still Matters: Stereochemistry as a Critical Quality Attribute Read More »
Introduction Chirality has already transformed how agrochemicals are designed, evaluated, and applied. From the early reliance on racemic formulations to today’s enantiopure products such as metalaxyl-M, the trajectory shows a clear shift toward stereochemistry as a cornerstone of innovation. The future of chiral agrochemistry lies at the intersection of asymmetric synthesis, biocatalysis, computational design, and …
Episode 10: Future Directions in Chiral Agrochemistry Read More »
Demonstrates that chirality extends beyond carbon into heavier elements Introduction: Beyond Carbon-Centered Chirality Chirality is one of the most fundamental concepts in chemistry, typically introduced through tetrahedral carbon atoms bearing four different substituents. However, chirality is not limited to carbon—it extends across the periodic table. Germanium, a Group 14 element positioned below silicon, presents a …
Germanium 🧬: Beyond Carbon — A Chiralpedia Guide to a New Dimension of Chirality Read More »
❓ Can AI truly be intelligent if it is stereo-blind? 🌀 On Visuals and Stereochemical TruthSome illustrations in this series are generated or assisted by AI to support conceptual understanding. These visuals are intentionally simplified and should not be read as stereochemically rigorous or chemically exact representations. Wherever stereochemical fidelity matters, it is addressed explicitly …
Episode 5: Beyond Bias: Toward Chiral Intelligence Read More »
❓ How do we move from recognizing chiral bias to responsibly fixing it? On Visuals and Stereochemical TruthSome illustrations in this series are generated or assisted by AI to support conceptual understanding. These visuals are intentionally simplified and should not be read as stereochemically rigorous or chemically exact representations. Wherever stereochemical fidelity matters, it is …
Episode 4: Fixing the Bias: Data, Models and Generative Constraints Read More »
“When molecules have two hands but AI only sees one.” On Visuals and Stereochemical TruthSome illustrations in this series are generated or assisted by AI to support conceptual understanding. These visuals are intentionally simplified and should not be read as stereochemically rigorous or chemically exact representations. Wherever stereochemical fidelity matters, it is addressed explicitly in …
Episode 3: When Algorithms Miss the Mirror: How Chiral Blind Spots Break the Pipeline? Read More »
“AI isn’t blind—just stereo-sloppy” On Visuals and Stereochemical TruthSome illustrations in this series are generated or assisted by AI to support conceptual understanding. These visuals are intentionally simplified and should not be read as stereochemically rigorous or chemically exact representations. Wherever stereochemical fidelity matters, it is addressed explicitly in the discussion—because in chemistry, especially in …