pub struct EnsembleResult {
pub logp: f64,
pub logp_std: f64,
pub log_solubility: f64,
pub tpsa: f64,
pub pka_acidic: Option<f64>,
pub pka_basic: Option<f64>,
pub veber: VeberResult,
pub bbb_permeable: bool,
pub bbb_score: f64,
pub confidence: f64,
}Expand description
Extended ML property predictions with uncertainty and additional properties.
Fields§
§logp: f64Predicted LogP (consensus of 3 models).
logp_std: f64Standard deviation across LogP models (uncertainty).
log_solubility: f64Predicted aqueous solubility (log S, mol/L).
tpsa: f64Predicted TPSA (Ų).
pka_acidic: Option<f64>Predicted pKa for the most acidic group.
pka_basic: Option<f64>Predicted pKa for the most basic group.
veber: VeberResultVeber oral bioavailability rules.
bbb_permeable: boolBBB permeability prediction.
bbb_score: f64BBB permeability score (0–1).
confidence: f64Overall prediction confidence (0–1).
Trait Implementations§
Source§impl Clone for EnsembleResult
impl Clone for EnsembleResult
Source§fn clone(&self) -> EnsembleResult
fn clone(&self) -> EnsembleResult
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 EnsembleResult
impl Debug for EnsembleResult
Source§impl<'de> Deserialize<'de> for EnsembleResult
impl<'de> Deserialize<'de> for EnsembleResult
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 EnsembleResult
impl RefUnwindSafe for EnsembleResult
impl Send for EnsembleResult
impl Sync for EnsembleResult
impl Unpin for EnsembleResult
impl UnsafeUnpin for EnsembleResult
impl UnwindSafe for EnsembleResult
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.