chematic-chem 0.4.22

Molecular descriptors: MW, LogP, TPSA, QED, Gasteiger charges, CIP stereo, Murcko scaffold, tautomers, BRICS fragmentation — pure-Rust
Documentation

chematic-chem

There is very little structured metadata to build this page from currently. You should check the main library docs, readme, or Cargo.toml in case the author documented the features in them.

This version has 3 feature flags, 0 of them enabled by default.

compress-patterns

serde

trained-solubility-mlp

This feature flag does not enable additional features.