pub struct MlPropertyResult {
pub logp: f64,
pub molar_refractivity: f64,
pub log_solubility: f64,
pub lipinski: LipinskiResult,
pub druglikeness: f64,
pub uncertainty: PredictionUncertainty,
}Expand description
ML-predicted molecular properties.
Fields§
§logp: f64Predicted octanol-water partition coefficient (log P).
molar_refractivity: f64Predicted molar refractivity (cm³/mol).
log_solubility: f64Predicted aqueous solubility (log S, mol/L).
lipinski: LipinskiResultLipinski rule-of-five flags.
druglikeness: f64Druglikeness score (0–1).
uncertainty: PredictionUncertaintyPrediction uncertainty estimates.
Trait Implementations§
Source§impl Clone for MlPropertyResult
impl Clone for MlPropertyResult
Source§fn clone(&self) -> MlPropertyResult
fn clone(&self) -> MlPropertyResult
Returns a duplicate of the value. Read more
1.0.0 · Source§fn clone_from(&mut self, source: &Self)
fn clone_from(&mut self, source: &Self)
Performs copy-assignment from
source. Read moreSource§impl Debug for MlPropertyResult
impl Debug for MlPropertyResult
Source§impl<'de> Deserialize<'de> for MlPropertyResult
impl<'de> Deserialize<'de> for MlPropertyResult
Source§fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>where
__D: Deserializer<'de>,
fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>where
__D: Deserializer<'de>,
Deserialize this value from the given Serde deserializer. Read more
Auto Trait Implementations§
impl Freeze for MlPropertyResult
impl RefUnwindSafe for MlPropertyResult
impl Send for MlPropertyResult
impl Sync for MlPropertyResult
impl Unpin for MlPropertyResult
impl UnsafeUnpin for MlPropertyResult
impl UnwindSafe for MlPropertyResult
Blanket Implementations§
Source§impl<T> BorrowMut<T> for Twhere
T: ?Sized,
impl<T> BorrowMut<T> for Twhere
T: ?Sized,
Source§fn borrow_mut(&mut self) -> &mut T
fn borrow_mut(&mut self) -> &mut T
Mutably borrows from an owned value. Read more
Source§impl<T> CloneToUninit for Twhere
T: Clone,
impl<T> CloneToUninit for Twhere
T: Clone,
Source§impl<T> IntoEither for T
impl<T> IntoEither for T
Source§fn into_either(self, into_left: bool) -> Either<Self, Self>
fn into_either(self, into_left: bool) -> Either<Self, Self>
Converts
self into a Left variant of Either<Self, Self>
if into_left is true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read moreSource§fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
Converts
self into a Left variant of Either<Self, Self>
if into_left(&self) returns true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read moreSource§impl<T> Pointable for T
impl<T> Pointable for T
Source§impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
Source§fn to_subset(&self) -> Option<SS>
fn to_subset(&self) -> Option<SS>
The inverse inclusion map: attempts to construct
self from the equivalent element of its
superset. Read moreSource§fn is_in_subset(&self) -> bool
fn is_in_subset(&self) -> bool
Checks if
self is actually part of its subset T (and can be converted to it).Source§fn to_subset_unchecked(&self) -> SS
fn to_subset_unchecked(&self) -> SS
Use with care! Same as
self.to_subset but without any property checks. Always succeeds.Source§fn from_subset(element: &SS) -> SP
fn from_subset(element: &SS) -> SP
The inclusion map: converts
self to the equivalent element of its superset.